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/MALAT1-29mer-aaca26c0/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/MALAT1-29mer-aaca26c0/inputs/seq.fa: 1
curr_seq: _CAGCUGACCCAGGUGCUACACAGAAGUGG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGCUGACCCAGGUGCUACACAGAAGUGG
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 29 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: 150
n_atoms_counter: 150
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 29.000000 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/MALAT1-29mer-aaca26c0/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/MALAT1-29mer-aaca26c0/inputs/seq.fa: 1
curr_seq: _CAGCUGACCCAGGUGCUACACAGAAGUGG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGCUGACCCAGGUGCUACACAGAAGUGG
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 29 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: 150
n_atoms_counter: 150
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 29.000000 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/MALAT1-29mer-aaca26c0/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/MALAT1-29mer-aaca26c0/inputs/seq.fa: 1
curr_seq: _CAGCUGACCCAGGUGCUACACAGAAGUGG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGCUGACCCAGGUGCUACACAGAAGUGG
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 29 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: 150
n_atoms_counter: 150
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 29.000000 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/MALAT1-29mer-aaca26c0/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/MALAT1-29mer-aaca26c0/inputs/seq.fa: 1
curr_seq: _CAGCUGACCCAGGUGCUACACAGAAGUGG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGCUGACCCAGGUGCUACACAGAAGUGG
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 29 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: 150
n_atoms_counter: 150
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 29.000000 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/MALAT1-29mer-aaca26c0/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/MALAT1-29mer-aaca26c0/inputs/seq.fa: 1
curr_seq: _CAGCUGACCCAGGUGCUACACAGAAGUGG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGCUGACCCAGGUGCUACACAGAAGUGG
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 29 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: 150
n_atoms_counter: 150
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 29.000000 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/MALAT1-29mer-aaca26c0/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/MALAT1-29mer-aaca26c0/inputs/seq.fa: 1
curr_seq: _CAGCUGACCCAGGUGCUACACAGAAGUGG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGCUGACCCAGGUGCUACACAGAAGUGG
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 29 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: 150
n_atoms_counter: 150
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 29.000000 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/MALAT1-29mer-aaca26c0/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/MALAT1-29mer-aaca26c0/inputs/seq.fa: 1
curr_seq: _CAGCUGACCCAGGUGCUACACAGAAGUGG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGCUGACCCAGGUGCUACACAGAAGUGG
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 29 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: 150
n_atoms_counter: 150
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 29.000000 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/MALAT1-29mer-aaca26c0/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/MALAT1-29mer-aaca26c0/inputs/seq.fa: 1
curr_seq: _CAGCUGACCCAGGUGCUACACAGAAGUGG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGCUGACCCAGGUGCUACACAGAAGUGG
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 29 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: 150
n_atoms_counter: 150
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 29.000000 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/MALAT1-29mer-aaca26c0/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/MALAT1-29mer-aaca26c0/inputs/seq.fa: 1
curr_seq: _CAGCUGACCCAGGUGCUACACAGAAGUGG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGCUGACCCAGGUGCUACACAGAAGUGG
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 29 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: 150
n_atoms_counter: 150
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 29.000000 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/MALAT1-29mer-aaca26c0/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/MALAT1-29mer-aaca26c0/inputs/seq.fa: 1
curr_seq: _CAGCUGACCCAGGUGCUACACAGAAGUGG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CAGCUGACCCAGGUGCUACACAGAAGUGG
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 29 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: 150
n_atoms_counter: 150
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 29.000000 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: -107.111736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.111736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.111736 (E_RNA)
where:
Base-Base interactions energy: 0.610
where: short stacking energy: 0.610
Base-Backbone interact. energy: -0.000
local terms energy: -107.721420
where:
bonds (distance) C4'-P energy: -28.176
bonds (distance) P-C4' energy: -26.840
flat angles C4'-P-C4' energy: -21.293
flat angles P-C4'-P energy: -24.356
tors. eta vs tors. theta energy: -7.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -107.111736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.111736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.111736 (E_RNA)
where:
Base-Base interactions energy: 0.610
where: short stacking energy: 0.610
Base-Backbone interact. energy: -0.000
local terms energy: -107.721420
where:
bonds (distance) C4'-P energy: -28.176
bonds (distance) P-C4' energy: -26.840
flat angles C4'-P-C4' energy: -21.293
flat angles P-C4'-P energy: -24.356
tors. eta vs tors. theta energy: -7.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -107.111736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.111736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.111736 (E_RNA)
where:
Base-Base interactions energy: 0.610
where: short stacking energy: 0.610
Base-Backbone interact. energy: -0.000
local terms energy: -107.721420
where:
bonds (distance) C4'-P energy: -28.176
bonds (distance) P-C4' energy: -26.840
flat angles C4'-P-C4' energy: -21.293
flat angles P-C4'-P energy: -24.356
tors. eta vs tors. theta energy: -7.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -107.111736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.111736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.111736 (E_RNA)
where:
Base-Base interactions energy: 0.610
where: short stacking energy: 0.610
Base-Backbone interact. energy: -0.000
local terms energy: -107.721420
where:
bonds (distance) C4'-P energy: -28.176
bonds (distance) P-C4' energy: -26.840
flat angles C4'-P-C4' energy: -21.293
flat angles P-C4'-P energy: -24.356
tors. eta vs tors. theta energy: -7.057
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: 1
Temperature: 1.100000
Total energy: -107.111736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.111736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.111736 (E_RNA)
where:
Base-Base interactions energy: 0.610
where: short stacking energy: 0.610
Base-Backbone interact. energy: -0.000
local terms energy: -107.721420
where:
bonds (distance) C4'-P energy: -28.176
bonds (distance) P-C4' energy: -26.840
flat angles C4'-P-C4' energy: -21.293
flat angles P-C4'-P energy: -24.356
tors. eta vs tors. theta energy: -7.057
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: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -107.111736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.111736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.111736 (E_RNA)
where:
Base-Base interactions energy: 0.610
where: short stacking energy: 0.610
Base-Backbone interact. energy: -0.000
local terms energy: -107.721420
where:
bonds (distance) C4'-P energy: -28.176
bonds (distance) P-C4' energy: -26.840
flat angles C4'-P-C4' energy: -21.293
flat angles P-C4'-P energy: -24.356
tors. eta vs tors. theta energy: -7.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -107.111736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.111736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.111736 (E_RNA)
where:
Base-Base interactions energy: 0.610
where: short stacking energy: 0.610
Base-Backbone interact. energy: -0.000
local terms energy: -107.721420
where:
bonds (distance) C4'-P energy: -28.176
bonds (distance) P-C4' energy: -26.840
flat angles C4'-P-C4' energy: -21.293
flat angles P-C4'-P energy: -24.356
tors. eta vs tors. theta energy: -7.057
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: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -107.111736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.111736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.111736 (E_RNA)
where:
Base-Base interactions energy: 0.610
where: short stacking energy: 0.610
Base-Backbone interact. energy: -0.000
local terms energy: -107.721420
where:
bonds (distance) C4'-P energy: -28.176
bonds (distance) P-C4' energy: -26.840
flat angles C4'-P-C4' energy: -21.293
flat angles P-C4'-P energy: -24.356
tors. eta vs tors. theta energy: -7.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -107.111736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.111736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.111736 (E_RNA)
where:
Base-Base interactions energy: 0.610
where: short stacking energy: 0.610
Base-Backbone interact. energy: -0.000
local terms energy: -107.721420
where:
bonds (distance) C4'-P energy: -28.176
bonds (distance) P-C4' energy: -26.840
flat angles C4'-P-C4' energy: -21.293
flat angles P-C4'-P energy: -24.356
tors. eta vs tors. theta energy: -7.057
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: 1
Temperature: 1.350000
Total energy: -107.111736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.111736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.111736 (E_RNA)
where:
Base-Base interactions energy: 0.610
where: short stacking energy: 0.610
Base-Backbone interact. energy: -0.000
local terms energy: -107.721420
where:
bonds (distance) C4'-P energy: -28.176
bonds (distance) P-C4' energy: -26.840
flat angles C4'-P-C4' energy: -21.293
flat angles P-C4'-P energy: -24.356
tors. eta vs tors. theta energy: -7.057
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: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -173.784772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.784772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.784772 (E_RNA)
where:
Base-Base interactions energy: -85.613
where: short stacking energy: -85.613
Base-Backbone interact. energy: -0.044
local terms energy: -88.127705
where:
bonds (distance) C4'-P energy: -19.838
bonds (distance) P-C4' energy: -20.910
flat angles C4'-P-C4' energy: -17.247
flat angles P-C4'-P energy: -11.151
tors. eta vs tors. theta energy: -18.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -175.528911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.528911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.528911 (E_RNA)
where:
Base-Base interactions energy: -88.615
where: short stacking energy: -73.098
Base-Backbone interact. energy: -0.042
local terms energy: -86.871779
where:
bonds (distance) C4'-P energy: -18.962
bonds (distance) P-C4' energy: -25.100
flat angles C4'-P-C4' energy: -16.398
flat angles P-C4'-P energy: -12.709
tors. eta vs tors. theta energy: -13.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -176.743453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.743453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.743453 (E_RNA)
where:
Base-Base interactions energy: -100.368
where: short stacking energy: -59.026
Base-Backbone interact. energy: -0.836
local terms energy: -75.538823
where:
bonds (distance) C4'-P energy: -19.181
bonds (distance) P-C4' energy: -19.391
flat angles C4'-P-C4' energy: -16.842
flat angles P-C4'-P energy: -10.657
tors. eta vs tors. theta energy: -9.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -133.291965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.291965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.291965 (E_RNA)
where:
Base-Base interactions energy: -59.267
where: short stacking energy: -50.754
Base-Backbone interact. energy: -0.205
local terms energy: -73.820160
where:
bonds (distance) C4'-P energy: -18.068
bonds (distance) P-C4' energy: -20.632
flat angles C4'-P-C4' energy: -17.050
flat angles P-C4'-P energy: -6.620
tors. eta vs tors. theta energy: -11.450
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: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -144.558954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.558954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.558954 (E_RNA)
where:
Base-Base interactions energy: -57.224
where: short stacking energy: -56.678
Base-Backbone interact. energy: -0.076
local terms energy: -87.259885
where:
bonds (distance) C4'-P energy: -22.389
bonds (distance) P-C4' energy: -21.506
flat angles C4'-P-C4' energy: -14.515
flat angles P-C4'-P energy: -13.193
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: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -150.790271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.790271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.790271 (E_RNA)
where:
Base-Base interactions energy: -64.127
where: short stacking energy: -56.169
Base-Backbone interact. energy: -0.044
local terms energy: -86.619122
where:
bonds (distance) C4'-P energy: -21.442
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -19.447
flat angles P-C4'-P energy: -14.655
tors. eta vs tors. theta energy: -13.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -157.763454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.763454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.763454 (E_RNA)
where:
Base-Base interactions energy: -98.713
where: short stacking energy: -43.250
Base-Backbone interact. energy: -0.770
local terms energy: -58.280649
where:
bonds (distance) C4'-P energy: -14.678
bonds (distance) P-C4' energy: -13.630
flat angles C4'-P-C4' energy: -21.510
flat angles P-C4'-P energy: -7.132
tors. eta vs tors. theta energy: -1.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -117.423710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.423710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.423710 (E_RNA)
where:
Base-Base interactions energy: -42.048
where: short stacking energy: -37.756
Base-Backbone interact. energy: -0.121
local terms energy: -75.254904
where:
bonds (distance) C4'-P energy: -20.699
bonds (distance) P-C4' energy: -17.319
flat angles C4'-P-C4' energy: -19.355
flat angles P-C4'-P energy: -11.229
tors. eta vs tors. theta energy: -6.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -106.497532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.497532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.497532 (E_RNA)
where:
Base-Base interactions energy: 0.610
where: short stacking energy: 0.610
Base-Backbone interact. energy: -0.000
local terms energy: -107.107214
where:
bonds (distance) C4'-P energy: -28.060
bonds (distance) P-C4' energy: -26.833
flat angles C4'-P-C4' energy: -20.708
flat angles P-C4'-P energy: -24.282
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: 2
Temperature: 1.350000
Total energy: -106.450090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.450090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.450090 (E_RNA)
where:
Base-Base interactions energy: 0.610
where: short stacking energy: 0.610
Base-Backbone interact. energy: -0.000
local terms energy: -107.059772
where:
bonds (distance) C4'-P energy: -28.060
bonds (distance) P-C4' energy: -26.833
flat angles C4'-P-C4' energy: -20.708
flat angles P-C4'-P energy: -24.234
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: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -166.854822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.854822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.854822 (E_RNA)
where:
Base-Base interactions energy: -72.650
where: short stacking energy: -72.650
Base-Backbone interact. energy: -0.923
local terms energy: -93.281252
where:
bonds (distance) C4'-P energy: -17.387
bonds (distance) P-C4' energy: -22.856
flat angles C4'-P-C4' energy: -19.806
flat angles P-C4'-P energy: -19.169
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: 3
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -244.536272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.536272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.536272 (E_RNA)
where:
Base-Base interactions energy: -149.131
where: short stacking energy: -81.060
Base-Backbone interact. energy: -0.002
local terms energy: -95.402843
where:
bonds (distance) C4'-P energy: -20.246
bonds (distance) P-C4' energy: -20.343
flat angles C4'-P-C4' energy: -20.282
flat angles P-C4'-P energy: -11.886
tors. eta vs tors. theta energy: -22.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -226.714432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.714432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.714432 (E_RNA)
where:
Base-Base interactions energy: -142.108
where: short stacking energy: -81.240
Base-Backbone interact. energy: -0.262
local terms energy: -84.344728
where:
bonds (distance) C4'-P energy: -15.178
bonds (distance) P-C4' energy: -19.903
flat angles C4'-P-C4' energy: -21.163
flat angles P-C4'-P energy: -11.758
tors. eta vs tors. theta energy: -16.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -161.524967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.524967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.524967 (E_RNA)
where:
Base-Base interactions energy: -68.602
where: short stacking energy: -65.270
Base-Backbone interact. energy: -0.041
local terms energy: -92.881951
where:
bonds (distance) C4'-P energy: -16.394
bonds (distance) P-C4' energy: -23.333
flat angles C4'-P-C4' energy: -17.016
flat angles P-C4'-P energy: -16.452
tors. eta vs tors. theta energy: -19.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -163.664811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.664811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.664811 (E_RNA)
where:
Base-Base interactions energy: -90.636
where: short stacking energy: -66.064
Base-Backbone interact. energy: 0.009
local terms energy: -73.038002
where:
bonds (distance) C4'-P energy: -17.081
bonds (distance) P-C4' energy: -20.449
flat angles C4'-P-C4' energy: -13.712
flat angles P-C4'-P energy: -12.119
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: 6, replica: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -181.494678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.494678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.494678 (E_RNA)
where:
Base-Base interactions energy: -97.474
where: short stacking energy: -59.456
Base-Backbone interact. energy: -0.125
local terms energy: -83.895474
where:
bonds (distance) C4'-P energy: -19.304
bonds (distance) P-C4' energy: -21.439
flat angles C4'-P-C4' energy: -19.858
flat angles P-C4'-P energy: -13.429
tors. eta vs tors. theta energy: -9.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -144.385935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.385935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.385935 (E_RNA)
where:
Base-Base interactions energy: -79.576
where: short stacking energy: -36.114
Base-Backbone interact. energy: -1.542
local terms energy: -63.267990
where:
bonds (distance) C4'-P energy: -18.273
bonds (distance) P-C4' energy: -19.481
flat angles C4'-P-C4' energy: -16.328
flat angles P-C4'-P energy: -10.680
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: 8, replica: 8
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -138.979138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.979138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.979138 (E_RNA)
where:
Base-Base interactions energy: -65.179
where: short stacking energy: -42.361
Base-Backbone interact. energy: -0.290
local terms energy: -73.510436
where:
bonds (distance) C4'-P energy: -19.823
bonds (distance) P-C4' energy: -20.254
flat angles C4'-P-C4' energy: -19.800
flat angles P-C4'-P energy: -10.487
tors. eta vs tors. theta energy: -3.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -97.780086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.780086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.780086 (E_RNA)
where:
Base-Base interactions energy: -39.855
where: short stacking energy: -39.855
Base-Backbone interact. energy: -0.073
local terms energy: -57.852592
where:
bonds (distance) C4'-P energy: -8.400
bonds (distance) P-C4' energy: -18.243
flat angles C4'-P-C4' energy: -15.312
flat angles P-C4'-P energy: -11.490
tors. eta vs tors. theta energy: -4.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -100.535333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.535333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.535333 (E_RNA)
where:
Base-Base interactions energy: -31.789
where: short stacking energy: -24.015
Base-Backbone interact. energy: -0.217
local terms energy: -68.528828
where:
bonds (distance) C4'-P energy: -17.163
bonds (distance) P-C4' energy: -17.200
flat angles C4'-P-C4' energy: -19.265
flat angles P-C4'-P energy: -11.401
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: 1, replica: 3
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -272.032836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.032836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.032836 (E_RNA)
where:
Base-Base interactions energy: -176.483
where: short stacking energy: -81.314
Base-Backbone interact. energy: -0.080
local terms energy: -95.469807
where:
bonds (distance) C4'-P energy: -19.785
bonds (distance) P-C4' energy: -18.703
flat angles C4'-P-C4' energy: -22.702
flat angles P-C4'-P energy: -11.570
tors. eta vs tors. theta energy: -22.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -232.250595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.250595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.250595 (E_RNA)
where:
Base-Base interactions energy: -142.100
where: short stacking energy: -67.454
Base-Backbone interact. energy: 0.782
local terms energy: -90.932852
where:
bonds (distance) C4'-P energy: -18.355
bonds (distance) P-C4' energy: -20.505
flat angles C4'-P-C4' energy: -19.906
flat angles P-C4'-P energy: -17.092
tors. eta vs tors. theta energy: -15.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -177.629381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.629381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.629381 (E_RNA)
where:
Base-Base interactions energy: -86.677
where: short stacking energy: -76.125
Base-Backbone interact. energy: -0.696
local terms energy: -90.256504
where:
bonds (distance) C4'-P energy: -16.720
bonds (distance) P-C4' energy: -20.679
flat angles C4'-P-C4' energy: -22.896
flat angles P-C4'-P energy: -11.197
tors. eta vs tors. theta energy: -18.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -200.330690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.330690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.330690 (E_RNA)
where:
Base-Base interactions energy: -110.161
where: short stacking energy: -66.587
Base-Backbone interact. energy: -0.484
local terms energy: -89.686129
where:
bonds (distance) C4'-P energy: -21.295
bonds (distance) P-C4' energy: -16.862
flat angles C4'-P-C4' energy: -21.743
flat angles P-C4'-P energy: -12.771
tors. eta vs tors. theta energy: -17.016
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: 7
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -189.940101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.940101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.940101 (E_RNA)
where:
Base-Base interactions energy: -119.873
where: short stacking energy: -55.093
Base-Backbone interact. energy: -2.244
local terms energy: -67.822815
where:
bonds (distance) C4'-P energy: -15.760
bonds (distance) P-C4' energy: -16.838
flat angles C4'-P-C4' energy: -19.444
flat angles P-C4'-P energy: -11.015
tors. eta vs tors. theta energy: -4.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -144.025918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.025918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.025918 (E_RNA)
where:
Base-Base interactions energy: -76.164
where: short stacking energy: -26.850
Base-Backbone interact. energy: 0.790
local terms energy: -68.651924
where:
bonds (distance) C4'-P energy: -19.156
bonds (distance) P-C4' energy: -21.987
flat angles C4'-P-C4' energy: -12.671
flat angles P-C4'-P energy: -12.350
tors. eta vs tors. theta energy: -2.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -157.723930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.723930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.723930 (E_RNA)
where:
Base-Base interactions energy: -92.893
where: short stacking energy: -47.318
Base-Backbone interact. energy: 0.604
local terms energy: -65.434725
where:
bonds (distance) C4'-P energy: -14.697
bonds (distance) P-C4' energy: -19.993
flat angles C4'-P-C4' energy: -13.483
flat angles P-C4'-P energy: -6.345
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: 8, replica: 6
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -111.316165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.316165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.316165 (E_RNA)
where:
Base-Base interactions energy: -49.853
where: short stacking energy: -37.240
Base-Backbone interact. energy: -0.684
local terms energy: -60.778936
where:
bonds (distance) C4'-P energy: -17.831
bonds (distance) P-C4' energy: -16.172
flat angles C4'-P-C4' energy: -12.659
flat angles P-C4'-P energy: -8.629
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: 4
Temperature: 1.300000
Total energy: -114.944941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.944941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.944941 (E_RNA)
where:
Base-Base interactions energy: -43.879
where: short stacking energy: -32.897
Base-Backbone interact. energy: -1.605
local terms energy: -69.460883
where:
bonds (distance) C4'-P energy: -20.728
bonds (distance) P-C4' energy: -21.919
flat angles C4'-P-C4' energy: -10.778
flat angles P-C4'-P energy: -11.769
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: 10, replica: 9
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -103.373926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.373926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.373926 (E_RNA)
where:
Base-Base interactions energy: -41.178
where: short stacking energy: -41.111
Base-Backbone interact. energy: -0.033
local terms energy: -62.163100
where:
bonds (distance) C4'-P energy: -13.470
bonds (distance) P-C4' energy: -16.946
flat angles C4'-P-C4' energy: -11.989
flat angles P-C4'-P energy: -11.444
tors. eta vs tors. theta energy: -8.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -269.862838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.862838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.862838 (E_RNA)
where:
Base-Base interactions energy: -175.693
where: short stacking energy: -84.727
Base-Backbone interact. energy: -0.601
local terms energy: -93.569013
where:
bonds (distance) C4'-P energy: -17.134
bonds (distance) P-C4' energy: -19.081
flat angles C4'-P-C4' energy: -20.999
flat angles P-C4'-P energy: -16.121
tors. eta vs tors. theta energy: -20.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -252.246165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.246165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.246165 (E_RNA)
where:
Base-Base interactions energy: -163.445
where: short stacking energy: -67.254
Base-Backbone interact. energy: -0.102
local terms energy: -88.698821
where:
bonds (distance) C4'-P energy: -18.354
bonds (distance) P-C4' energy: -18.595
flat angles C4'-P-C4' energy: -18.293
flat angles P-C4'-P energy: -17.910
tors. eta vs tors. theta energy: -15.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -169.098085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.098085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.098085 (E_RNA)
where:
Base-Base interactions energy: -78.421
where: short stacking energy: -74.651
Base-Backbone interact. energy: -0.756
local terms energy: -89.921492
where:
bonds (distance) C4'-P energy: -19.263
bonds (distance) P-C4' energy: -16.372
flat angles C4'-P-C4' energy: -23.701
flat angles P-C4'-P energy: -8.824
tors. eta vs tors. theta energy: -21.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -199.634913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.634913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.634913 (E_RNA)
where:
Base-Base interactions energy: -113.142
where: short stacking energy: -58.339
Base-Backbone interact. energy: -0.192
local terms energy: -86.300733
where:
bonds (distance) C4'-P energy: -19.242
bonds (distance) P-C4' energy: -20.197
flat angles C4'-P-C4' energy: -18.413
flat angles P-C4'-P energy: -15.722
tors. eta vs tors. theta energy: -12.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -185.213577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.213577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.213577 (E_RNA)
where:
Base-Base interactions energy: -111.134
where: short stacking energy: -53.894
Base-Backbone interact. energy: 1.794
local terms energy: -75.873799
where:
bonds (distance) C4'-P energy: -17.851
bonds (distance) P-C4' energy: -16.733
flat angles C4'-P-C4' energy: -18.562
flat angles P-C4'-P energy: -9.140
tors. eta vs tors. theta energy: -13.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -175.535886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.535886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.535886 (E_RNA)
where:
Base-Base interactions energy: -103.845
where: short stacking energy: -50.414
Base-Backbone interact. energy: -0.795
local terms energy: -70.895714
where:
bonds (distance) C4'-P energy: -18.133
bonds (distance) P-C4' energy: -18.733
flat angles C4'-P-C4' energy: -16.008
flat angles P-C4'-P energy: -9.148
tors. eta vs tors. theta energy: -8.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -141.724094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.724094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.724094 (E_RNA)
where:
Base-Base interactions energy: -60.641
where: short stacking energy: -41.127
Base-Backbone interact. energy: -1.309
local terms energy: -79.774162
where:
bonds (distance) C4'-P energy: -18.137
bonds (distance) P-C4' energy: -21.031
flat angles C4'-P-C4' energy: -19.348
flat angles P-C4'-P energy: -13.408
tors. eta vs tors. theta energy: -7.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -124.985208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.985208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.985208 (E_RNA)
where:
Base-Base interactions energy: -45.791
where: short stacking energy: -41.369
Base-Backbone interact. energy: 0.420
local terms energy: -79.613943
where:
bonds (distance) C4'-P energy: -16.693
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -21.972
flat angles P-C4'-P energy: -16.140
tors. eta vs tors. theta energy: -11.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -128.601811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.601811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.601811 (E_RNA)
where:
Base-Base interactions energy: -57.892
where: short stacking energy: -38.802
Base-Backbone interact. energy: -0.267
local terms energy: -70.441965
where:
bonds (distance) C4'-P energy: -16.801
bonds (distance) P-C4' energy: -21.323
flat angles C4'-P-C4' energy: -12.802
flat angles P-C4'-P energy: -16.857
tors. eta vs tors. theta energy: -2.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -104.778701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.778701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.778701 (E_RNA)
where:
Base-Base interactions energy: -31.811
where: short stacking energy: -31.579
Base-Backbone interact. energy: -0.300
local terms energy: -72.667274
where:
bonds (distance) C4'-P energy: -16.495
bonds (distance) P-C4' energy: -21.249
flat angles C4'-P-C4' energy: -20.723
flat angles P-C4'-P energy: -9.665
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: 1, replica: 3
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -276.369896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.369896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.369896 (E_RNA)
where:
Base-Base interactions energy: -175.575
where: short stacking energy: -80.246
Base-Backbone interact. energy: -1.109
local terms energy: -99.685478
where:
bonds (distance) C4'-P energy: -21.143
bonds (distance) P-C4' energy: -19.457
flat angles C4'-P-C4' energy: -22.713
flat angles P-C4'-P energy: -11.586
tors. eta vs tors. theta energy: -24.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -242.553144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.553144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.553144 (E_RNA)
where:
Base-Base interactions energy: -159.611
where: short stacking energy: -67.089
Base-Backbone interact. energy: 0.026
local terms energy: -82.968173
where:
bonds (distance) C4'-P energy: -15.927
bonds (distance) P-C4' energy: -20.611
flat angles C4'-P-C4' energy: -20.985
flat angles P-C4'-P energy: -15.458
tors. eta vs tors. theta energy: -9.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -223.766741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.766741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.766741 (E_RNA)
where:
Base-Base interactions energy: -130.101
where: short stacking energy: -77.866
Base-Backbone interact. energy: -0.071
local terms energy: -93.594693
where:
bonds (distance) C4'-P energy: -18.016
bonds (distance) P-C4' energy: -22.166
flat angles C4'-P-C4' energy: -21.033
flat angles P-C4'-P energy: -14.516
tors. eta vs tors. theta energy: -17.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -169.623704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.623704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.623704 (E_RNA)
where:
Base-Base interactions energy: -82.491
where: short stacking energy: -63.688
Base-Backbone interact. energy: -0.337
local terms energy: -86.795746
where:
bonds (distance) C4'-P energy: -19.424
bonds (distance) P-C4' energy: -20.976
flat angles C4'-P-C4' energy: -17.137
flat angles P-C4'-P energy: -12.929
tors. eta vs tors. theta energy: -16.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -202.177274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.177274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.177274 (E_RNA)
where:
Base-Base interactions energy: -126.351
where: short stacking energy: -61.799
Base-Backbone interact. energy: -0.089
local terms energy: -75.736706
where:
bonds (distance) C4'-P energy: -15.969
bonds (distance) P-C4' energy: -19.130
flat angles C4'-P-C4' energy: -18.697
flat angles P-C4'-P energy: -7.328
tors. eta vs tors. theta energy: -14.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -176.169508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.169508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.169508 (E_RNA)
where:
Base-Base interactions energy: -97.178
where: short stacking energy: -44.243
Base-Backbone interact. energy: 0.411
local terms energy: -79.402445
where:
bonds (distance) C4'-P energy: -19.134
bonds (distance) P-C4' energy: -19.835
flat angles C4'-P-C4' energy: -17.779
flat angles P-C4'-P energy: -12.153
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: 7, replica: 6
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -140.707345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.707345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.707345 (E_RNA)
where:
Base-Base interactions energy: -61.403
where: short stacking energy: -45.591
Base-Backbone interact. energy: 0.922
local terms energy: -80.226845
where:
bonds (distance) C4'-P energy: -19.317
bonds (distance) P-C4' energy: -18.462
flat angles C4'-P-C4' energy: -19.430
flat angles P-C4'-P energy: -11.408
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: 8, replica: 4
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -127.965568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.965568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.965568 (E_RNA)
where:
Base-Base interactions energy: -65.401
where: short stacking energy: -31.611
Base-Backbone interact. energy: -0.315
local terms energy: -62.249402
where:
bonds (distance) C4'-P energy: -11.653
bonds (distance) P-C4' energy: -17.744
flat angles C4'-P-C4' energy: -17.724
flat angles P-C4'-P energy: -13.444
tors. eta vs tors. theta energy: -1.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -117.268353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.268353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.268353 (E_RNA)
where:
Base-Base interactions energy: -58.943
where: short stacking energy: -36.204
Base-Backbone interact. energy: -0.163
local terms energy: -58.162344
where:
bonds (distance) C4'-P energy: -16.715
bonds (distance) P-C4' energy: -18.196
flat angles C4'-P-C4' energy: -10.118
flat angles P-C4'-P energy: -8.005
tors. eta vs tors. theta energy: -5.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -105.090950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.090950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.090950 (E_RNA)
where:
Base-Base interactions energy: -40.771
where: short stacking energy: -40.771
Base-Backbone interact. energy: -0.103
local terms energy: -64.217107
where:
bonds (distance) C4'-P energy: -16.923
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -17.812
flat angles P-C4'-P energy: -9.172
tors. eta vs tors. theta energy: -4.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -284.194811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.194811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.194811 (E_RNA)
where:
Base-Base interactions energy: -181.148
where: short stacking energy: -92.752
Base-Backbone interact. energy: -0.255
local terms energy: -102.792181
where:
bonds (distance) C4'-P energy: -23.557
bonds (distance) P-C4' energy: -17.042
flat angles C4'-P-C4' energy: -16.894
flat angles P-C4'-P energy: -17.401
tors. eta vs tors. theta energy: -27.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -238.456039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.456039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.456039 (E_RNA)
where:
Base-Base interactions energy: -139.569
where: short stacking energy: -85.712
Base-Backbone interact. energy: -0.420
local terms energy: -98.466931
where:
bonds (distance) C4'-P energy: -21.178
bonds (distance) P-C4' energy: -18.040
flat angles C4'-P-C4' energy: -22.260
flat angles P-C4'-P energy: -16.276
tors. eta vs tors. theta energy: -20.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -260.055435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.055435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.055435 (E_RNA)
where:
Base-Base interactions energy: -181.298
where: short stacking energy: -73.461
Base-Backbone interact. energy: -0.383
local terms energy: -78.374899
where:
bonds (distance) C4'-P energy: -15.312
bonds (distance) P-C4' energy: -15.814
flat angles C4'-P-C4' energy: -17.178
flat angles P-C4'-P energy: -15.170
tors. eta vs tors. theta energy: -14.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -212.667735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.667735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.667735 (E_RNA)
where:
Base-Base interactions energy: -133.243
where: short stacking energy: -56.306
Base-Backbone interact. energy: -0.220
local terms energy: -79.204818
where:
bonds (distance) C4'-P energy: -22.782
bonds (distance) P-C4' energy: -21.542
flat angles C4'-P-C4' energy: -20.551
flat angles P-C4'-P energy: -8.828
tors. eta vs tors. theta energy: -5.501
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: 5, replica: 5
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -166.591437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.591437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.591437 (E_RNA)
where:
Base-Base interactions energy: -90.703
where: short stacking energy: -45.615
Base-Backbone interact. energy: -0.977
local terms energy: -74.911183
where:
bonds (distance) C4'-P energy: -20.868
bonds (distance) P-C4' energy: -20.650
flat angles C4'-P-C4' energy: -15.596
flat angles P-C4'-P energy: -10.575
tors. eta vs tors. theta energy: -7.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -219.686698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.686698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.686698 (E_RNA)
where:
Base-Base interactions energy: -134.796
where: short stacking energy: -59.739
Base-Backbone interact. energy: -0.154
local terms energy: -84.736394
where:
bonds (distance) C4'-P energy: -19.340
bonds (distance) P-C4' energy: -21.267
flat angles C4'-P-C4' energy: -21.783
flat angles P-C4'-P energy: -11.042
tors. eta vs tors. theta energy: -11.303
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: 8
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -192.921498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.921498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.921498 (E_RNA)
where:
Base-Base interactions energy: -120.332
where: short stacking energy: -65.535
Base-Backbone interact. energy: 0.092
local terms energy: -72.681126
where:
bonds (distance) C4'-P energy: -19.420
bonds (distance) P-C4' energy: -19.986
flat angles C4'-P-C4' energy: -15.540
flat angles P-C4'-P energy: -4.244
tors. eta vs tors. theta energy: -13.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -112.959964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.959964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.959964 (E_RNA)
where:
Base-Base interactions energy: -42.496
where: short stacking energy: -25.296
Base-Backbone interact. energy: -0.721
local terms energy: -69.743014
where:
bonds (distance) C4'-P energy: -19.012
bonds (distance) P-C4' energy: -20.115
flat angles C4'-P-C4' energy: -19.189
flat angles P-C4'-P energy: -15.400
tors. eta vs tors. theta energy: 3.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -112.766821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.766821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.766821 (E_RNA)
where:
Base-Base interactions energy: -44.239
where: short stacking energy: -39.642
Base-Backbone interact. energy: -0.252
local terms energy: -68.275913
where:
bonds (distance) C4'-P energy: -21.027
bonds (distance) P-C4' energy: -16.687
flat angles C4'-P-C4' energy: -19.533
flat angles P-C4'-P energy: -7.043
tors. eta vs tors. theta energy: -3.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -111.692955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.692955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.692955 (E_RNA)
where:
Base-Base interactions energy: -43.598
where: short stacking energy: -40.440
Base-Backbone interact. energy: -0.145
local terms energy: -67.950228
where:
bonds (distance) C4'-P energy: -19.455
bonds (distance) P-C4' energy: -14.257
flat angles C4'-P-C4' energy: -17.095
flat angles P-C4'-P energy: -13.503
tors. eta vs tors. theta energy: -3.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -271.327378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.327378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.327378 (E_RNA)
where:
Base-Base interactions energy: -178.259
where: short stacking energy: -75.461
Base-Backbone interact. energy: -0.624
local terms energy: -92.444201
where:
bonds (distance) C4'-P energy: -22.044
bonds (distance) P-C4' energy: -19.247
flat angles C4'-P-C4' energy: -17.209
flat angles P-C4'-P energy: -14.724
tors. eta vs tors. theta energy: -19.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -225.135595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.135595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.135595 (E_RNA)
where:
Base-Base interactions energy: -127.098
where: short stacking energy: -71.163
Base-Backbone interact. energy: -0.279
local terms energy: -97.759200
where:
bonds (distance) C4'-P energy: -21.669
bonds (distance) P-C4' energy: -22.603
flat angles C4'-P-C4' energy: -19.166
flat angles P-C4'-P energy: -15.684
tors. eta vs tors. theta energy: -18.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -240.874078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.874078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.874078 (E_RNA)
where:
Base-Base interactions energy: -151.902
where: short stacking energy: -64.901
Base-Backbone interact. energy: -0.637
local terms energy: -88.335296
where:
bonds (distance) C4'-P energy: -17.610
bonds (distance) P-C4' energy: -22.754
flat angles C4'-P-C4' energy: -21.278
flat angles P-C4'-P energy: -12.224
tors. eta vs tors. theta energy: -14.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -220.649212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.649212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.649212 (E_RNA)
where:
Base-Base interactions energy: -133.956
where: short stacking energy: -65.312
Base-Backbone interact. energy: -0.850
local terms energy: -85.842993
where:
bonds (distance) C4'-P energy: -20.870
bonds (distance) P-C4' energy: -20.426
flat angles C4'-P-C4' energy: -19.112
flat angles P-C4'-P energy: -11.204
tors. eta vs tors. theta energy: -14.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -232.884355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.884355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.884355 (E_RNA)
where:
Base-Base interactions energy: -149.464
where: short stacking energy: -68.092
Base-Backbone interact. energy: -0.073
local terms energy: -83.347673
where:
bonds (distance) C4'-P energy: -19.412
bonds (distance) P-C4' energy: -21.626
flat angles C4'-P-C4' energy: -21.511
flat angles P-C4'-P energy: -6.435
tors. eta vs tors. theta energy: -14.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -131.906300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.906300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.906300 (E_RNA)
where:
Base-Base interactions energy: -67.175
where: short stacking energy: -53.104
Base-Backbone interact. energy: 0.551
local terms energy: -65.282716
where:
bonds (distance) C4'-P energy: -21.603
bonds (distance) P-C4' energy: -16.190
flat angles C4'-P-C4' energy: -18.687
flat angles P-C4'-P energy: -1.659
tors. eta vs tors. theta energy: -7.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -127.195055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.195055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.195055 (E_RNA)
where:
Base-Base interactions energy: -48.880
where: short stacking energy: -31.358
Base-Backbone interact. energy: -0.883
local terms energy: -77.431495
where:
bonds (distance) C4'-P energy: -18.401
bonds (distance) P-C4' energy: -23.852
flat angles C4'-P-C4' energy: -20.659
flat angles P-C4'-P energy: -11.912
tors. eta vs tors. theta energy: -2.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -170.924556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.924556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.924556 (E_RNA)
where:
Base-Base interactions energy: -94.740
where: short stacking energy: -47.724
Base-Backbone interact. energy: -2.031
local terms energy: -74.152962
where:
bonds (distance) C4'-P energy: -19.941
bonds (distance) P-C4' energy: -19.245
flat angles C4'-P-C4' energy: -17.047
flat angles P-C4'-P energy: -9.525
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: 9, replica: 9
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -97.296048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.296048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.296048 (E_RNA)
where:
Base-Base interactions energy: -36.144
where: short stacking energy: -33.410
Base-Backbone interact. energy: -0.309
local terms energy: -60.843326
where:
bonds (distance) C4'-P energy: -16.179
bonds (distance) P-C4' energy: -21.048
flat angles C4'-P-C4' energy: -14.083
flat angles P-C4'-P energy: -8.572
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: 4
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -121.055368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.055368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.055368 (E_RNA)
where:
Base-Base interactions energy: -59.296
where: short stacking energy: -25.405
Base-Backbone interact. energy: -0.290
local terms energy: -61.469428
where:
bonds (distance) C4'-P energy: -16.792
bonds (distance) P-C4' energy: -20.557
flat angles C4'-P-C4' energy: -18.061
flat angles P-C4'-P energy: -11.237
tors. eta vs tors. theta energy: 5.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -279.529945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.529945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.529945 (E_RNA)
where:
Base-Base interactions energy: -181.423
where: short stacking energy: -76.084
Base-Backbone interact. energy: -0.217
local terms energy: -97.889477
where:
bonds (distance) C4'-P energy: -19.744
bonds (distance) P-C4' energy: -18.964
flat angles C4'-P-C4' energy: -20.537
flat angles P-C4'-P energy: -17.381
tors. eta vs tors. theta energy: -21.263
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: 2
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -241.179657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.179657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.179657 (E_RNA)
where:
Base-Base interactions energy: -147.926
where: short stacking energy: -75.666
Base-Backbone interact. energy: -1.007
local terms energy: -92.246660
where:
bonds (distance) C4'-P energy: -22.988
bonds (distance) P-C4' energy: -19.711
flat angles C4'-P-C4' energy: -15.528
flat angles P-C4'-P energy: -15.514
tors. eta vs tors. theta energy: -18.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -257.782455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.782455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.782455 (E_RNA)
where:
Base-Base interactions energy: -173.814
where: short stacking energy: -80.207
Base-Backbone interact. energy: -0.901
local terms energy: -83.068143
where:
bonds (distance) C4'-P energy: -17.853
bonds (distance) P-C4' energy: -13.800
flat angles C4'-P-C4' energy: -20.946
flat angles P-C4'-P energy: -14.943
tors. eta vs tors. theta energy: -15.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -256.530931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.530931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.530931 (E_RNA)
where:
Base-Base interactions energy: -172.405
where: short stacking energy: -86.217
Base-Backbone interact. energy: 0.317
local terms energy: -84.442273
where:
bonds (distance) C4'-P energy: -20.605
bonds (distance) P-C4' energy: -15.554
flat angles C4'-P-C4' energy: -19.114
flat angles P-C4'-P energy: -5.169
tors. eta vs tors. theta energy: -24.001
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: 1
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -217.846529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.846529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.846529 (E_RNA)
where:
Base-Base interactions energy: -127.182
where: short stacking energy: -66.681
Base-Backbone interact. energy: -0.328
local terms energy: -90.336964
where:
bonds (distance) C4'-P energy: -18.396
bonds (distance) P-C4' energy: -21.588
flat angles C4'-P-C4' energy: -20.790
flat angles P-C4'-P energy: -13.675
tors. eta vs tors. theta energy: -15.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -138.494451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.494451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.494451 (E_RNA)
where:
Base-Base interactions energy: -62.724
where: short stacking energy: -56.422
Base-Backbone interact. energy: -0.521
local terms energy: -75.250105
where:
bonds (distance) C4'-P energy: -17.413
bonds (distance) P-C4' energy: -23.025
flat angles C4'-P-C4' energy: -17.700
flat angles P-C4'-P energy: -10.764
tors. eta vs tors. theta energy: -6.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -126.643034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.643034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.643034 (E_RNA)
where:
Base-Base interactions energy: -53.005
where: short stacking energy: -52.092
Base-Backbone interact. energy: -0.070
local terms energy: -73.567991
where:
bonds (distance) C4'-P energy: -18.488
bonds (distance) P-C4' energy: -15.745
flat angles C4'-P-C4' energy: -19.235
flat angles P-C4'-P energy: -15.374
tors. eta vs tors. theta energy: -4.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -154.479704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.479704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.479704 (E_RNA)
where:
Base-Base interactions energy: -80.959
where: short stacking energy: -45.927
Base-Backbone interact. energy: -0.074
local terms energy: -73.446407
where:
bonds (distance) C4'-P energy: -19.255
bonds (distance) P-C4' energy: -18.498
flat angles C4'-P-C4' energy: -18.940
flat angles P-C4'-P energy: -7.495
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: 9, replica: 9
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -104.120641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.120641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.120641 (E_RNA)
where:
Base-Base interactions energy: -39.724
where: short stacking energy: -34.019
Base-Backbone interact. energy: 0.578
local terms energy: -64.974514
where:
bonds (distance) C4'-P energy: -15.902
bonds (distance) P-C4' energy: -16.505
flat angles C4'-P-C4' energy: -21.842
flat angles P-C4'-P energy: -10.953
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: 10, replica: 4
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -136.569764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.569764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.569764 (E_RNA)
where:
Base-Base interactions energy: -69.684
where: short stacking energy: -41.114
Base-Backbone interact. energy: -0.110
local terms energy: -66.775112
where:
bonds (distance) C4'-P energy: -16.480
bonds (distance) P-C4' energy: -19.537
flat angles C4'-P-C4' energy: -17.123
flat angles P-C4'-P energy: -10.665
tors. eta vs tors. theta energy: -2.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -273.465863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.465863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.465863 (E_RNA)
where:
Base-Base interactions energy: -180.327
where: short stacking energy: -77.462
Base-Backbone interact. energy: -0.124
local terms energy: -93.015057
where:
bonds (distance) C4'-P energy: -21.977
bonds (distance) P-C4' energy: -18.540
flat angles C4'-P-C4' energy: -20.656
flat angles P-C4'-P energy: -12.691
tors. eta vs tors. theta energy: -19.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -229.707664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.707664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.707664 (E_RNA)
where:
Base-Base interactions energy: -138.361
where: short stacking energy: -68.218
Base-Backbone interact. energy: -0.098
local terms energy: -91.249210
where:
bonds (distance) C4'-P energy: -12.037
bonds (distance) P-C4' energy: -22.680
flat angles C4'-P-C4' energy: -22.241
flat angles P-C4'-P energy: -15.318
tors. eta vs tors. theta energy: -18.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -253.778277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.778277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.778277 (E_RNA)
where:
Base-Base interactions energy: -153.334
where: short stacking energy: -88.655
Base-Backbone interact. energy: -0.212
local terms energy: -100.232392
where:
bonds (distance) C4'-P energy: -21.713
bonds (distance) P-C4' energy: -23.574
flat angles C4'-P-C4' energy: -21.879
flat angles P-C4'-P energy: -12.417
tors. eta vs tors. theta energy: -20.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -242.423423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.423423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.423423 (E_RNA)
where:
Base-Base interactions energy: -148.351
where: short stacking energy: -81.322
Base-Backbone interact. energy: -0.177
local terms energy: -93.896079
where:
bonds (distance) C4'-P energy: -16.344
bonds (distance) P-C4' energy: -21.750
flat angles C4'-P-C4' energy: -21.080
flat angles P-C4'-P energy: -13.419
tors. eta vs tors. theta energy: -21.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -236.392522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.392522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.392522 (E_RNA)
where:
Base-Base interactions energy: -152.472
where: short stacking energy: -66.416
Base-Backbone interact. energy: -0.161
local terms energy: -83.759430
where:
bonds (distance) C4'-P energy: -18.192
bonds (distance) P-C4' energy: -16.480
flat angles C4'-P-C4' energy: -18.109
flat angles P-C4'-P energy: -15.943
tors. eta vs tors. theta energy: -15.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -123.069012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.069012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.069012 (E_RNA)
where:
Base-Base interactions energy: -41.141
where: short stacking energy: -38.567
Base-Backbone interact. energy: -0.158
local terms energy: -81.770149
where:
bonds (distance) C4'-P energy: -19.235
bonds (distance) P-C4' energy: -20.583
flat angles C4'-P-C4' energy: -20.547
flat angles P-C4'-P energy: -18.413
tors. eta vs tors. theta energy: -2.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -140.077782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.077782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.077782 (E_RNA)
where:
Base-Base interactions energy: -65.783
where: short stacking energy: -51.808
Base-Backbone interact. energy: -0.759
local terms energy: -73.536070
where:
bonds (distance) C4'-P energy: -16.919
bonds (distance) P-C4' energy: -21.378
flat angles C4'-P-C4' energy: -20.142
flat angles P-C4'-P energy: -5.911
tors. eta vs tors. theta energy: -9.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -102.841860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.841860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.841860 (E_RNA)
where:
Base-Base interactions energy: -39.380
where: short stacking energy: -38.146
Base-Backbone interact. energy: -0.251
local terms energy: -63.210508
where:
bonds (distance) C4'-P energy: -17.046
bonds (distance) P-C4' energy: -19.629
flat angles C4'-P-C4' energy: -16.467
flat angles P-C4'-P energy: -12.669
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: 9, replica: 4
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -138.943460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.943460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.943460 (E_RNA)
where:
Base-Base interactions energy: -79.693
where: short stacking energy: -35.895
Base-Backbone interact. energy: -0.412
local terms energy: -58.838206
where:
bonds (distance) C4'-P energy: -14.597
bonds (distance) P-C4' energy: -8.273
flat angles C4'-P-C4' energy: -11.247
flat angles P-C4'-P energy: -17.629
tors. eta vs tors. theta energy: -7.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -99.305750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.305750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.305750 (E_RNA)
where:
Base-Base interactions energy: -49.006
where: short stacking energy: -37.142
Base-Backbone interact. energy: -0.463
local terms energy: -49.836746
where:
bonds (distance) C4'-P energy: -13.160
bonds (distance) P-C4' energy: -13.278
flat angles C4'-P-C4' energy: -14.580
flat angles P-C4'-P energy: -9.972
tors. eta vs tors. theta energy: 1.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -286.590340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.590340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.590340 (E_RNA)
where:
Base-Base interactions energy: -194.282
where: short stacking energy: -73.992
Base-Backbone interact. energy: 0.160
local terms energy: -92.468144
where:
bonds (distance) C4'-P energy: -17.177
bonds (distance) P-C4' energy: -22.698
flat angles C4'-P-C4' energy: -16.427
flat angles P-C4'-P energy: -14.712
tors. eta vs tors. theta energy: -21.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -263.608125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.608125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.608125 (E_RNA)
where:
Base-Base interactions energy: -174.495
where: short stacking energy: -63.777
Base-Backbone interact. energy: -0.102
local terms energy: -89.010813
where:
bonds (distance) C4'-P energy: -19.404
bonds (distance) P-C4' energy: -24.402
flat angles C4'-P-C4' energy: -21.777
flat angles P-C4'-P energy: -10.235
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: 3, replica: 2
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -242.219498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.219498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.219498 (E_RNA)
where:
Base-Base interactions energy: -158.076
where: short stacking energy: -69.305
Base-Backbone interact. energy: -1.269
local terms energy: -82.874185
where:
bonds (distance) C4'-P energy: -18.745
bonds (distance) P-C4' energy: -14.900
flat angles C4'-P-C4' energy: -23.296
flat angles P-C4'-P energy: -11.030
tors. eta vs tors. theta energy: -14.903
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: 6
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -256.372083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.372083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.372083 (E_RNA)
where:
Base-Base interactions energy: -157.008
where: short stacking energy: -74.349
Base-Backbone interact. energy: -0.280
local terms energy: -99.083647
where:
bonds (distance) C4'-P energy: -19.077
bonds (distance) P-C4' energy: -21.124
flat angles C4'-P-C4' energy: -20.245
flat angles P-C4'-P energy: -15.395
tors. eta vs tors. theta energy: -23.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -279.947710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.947710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.947710 (E_RNA)
where:
Base-Base interactions energy: -181.804
where: short stacking energy: -76.434
Base-Backbone interact. energy: -0.146
local terms energy: -97.997491
where:
bonds (distance) C4'-P energy: -16.476
bonds (distance) P-C4' energy: -19.971
flat angles C4'-P-C4' energy: -20.271
flat angles P-C4'-P energy: -17.466
tors. eta vs tors. theta energy: -23.815
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: 11
Temperature: 1.150000
Total energy: -130.398572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.398572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.398572 (E_RNA)
where:
Base-Base interactions energy: -59.007
where: short stacking energy: -48.042
Base-Backbone interact. energy: -0.219
local terms energy: -71.172477
where:
bonds (distance) C4'-P energy: -20.357
bonds (distance) P-C4' energy: -21.396
flat angles C4'-P-C4' energy: -17.907
flat angles P-C4'-P energy: -4.366
tors. eta vs tors. theta energy: -7.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -117.988258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.988258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.988258 (E_RNA)
where:
Base-Base interactions energy: -48.547
where: short stacking energy: -36.458
Base-Backbone interact. energy: 0.864
local terms energy: -70.306038
where:
bonds (distance) C4'-P energy: -16.663
bonds (distance) P-C4' energy: -20.625
flat angles C4'-P-C4' energy: -17.390
flat angles P-C4'-P energy: -13.090
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: 8, replica: 4
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -134.164993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.164993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.164993 (E_RNA)
where:
Base-Base interactions energy: -69.452
where: short stacking energy: -35.748
Base-Backbone interact. energy: 0.545
local terms energy: -65.258006
where:
bonds (distance) C4'-P energy: -19.808
bonds (distance) P-C4' energy: -20.312
flat angles C4'-P-C4' energy: -13.483
flat angles P-C4'-P energy: -8.443
tors. eta vs tors. theta energy: -3.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -110.287960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.287960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.287960 (E_RNA)
where:
Base-Base interactions energy: -43.105
where: short stacking energy: -43.105
Base-Backbone interact. energy: -0.322
local terms energy: -66.861195
where:
bonds (distance) C4'-P energy: -17.958
bonds (distance) P-C4' energy: -19.464
flat angles C4'-P-C4' energy: -11.502
flat angles P-C4'-P energy: -13.345
tors. eta vs tors. theta energy: -4.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -111.391525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.391525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.391525 (E_RNA)
where:
Base-Base interactions energy: -46.840
where: short stacking energy: -47.296
Base-Backbone interact. energy: -0.412
local terms energy: -64.139359
where:
bonds (distance) C4'-P energy: -17.041
bonds (distance) P-C4' energy: -17.178
flat angles C4'-P-C4' energy: -14.052
flat angles P-C4'-P energy: -11.683
tors. eta vs tors. theta energy: -4.184
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: 7
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -301.819029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.819029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.819029 (E_RNA)
where:
Base-Base interactions energy: -205.987
where: short stacking energy: -92.596
Base-Backbone interact. energy: -0.231
local terms energy: -95.600437
where:
bonds (distance) C4'-P energy: -20.025
bonds (distance) P-C4' energy: -19.337
flat angles C4'-P-C4' energy: -21.532
flat angles P-C4'-P energy: -15.155
tors. eta vs tors. theta energy: -19.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -278.399149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.399149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.399149 (E_RNA)
where:
Base-Base interactions energy: -181.902
where: short stacking energy: -80.917
Base-Backbone interact. energy: -0.478
local terms energy: -96.020011
where:
bonds (distance) C4'-P energy: -19.427
bonds (distance) P-C4' energy: -17.158
flat angles C4'-P-C4' energy: -20.502
flat angles P-C4'-P energy: -17.054
tors. eta vs tors. theta energy: -21.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -277.117196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.117196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.117196 (E_RNA)
where:
Base-Base interactions energy: -179.687
where: short stacking energy: -87.570
Base-Backbone interact. energy: -0.084
local terms energy: -97.346411
where:
bonds (distance) C4'-P energy: -16.637
bonds (distance) P-C4' energy: -16.486
flat angles C4'-P-C4' energy: -21.901
flat angles P-C4'-P energy: -12.687
tors. eta vs tors. theta energy: -29.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -242.299954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.299954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.299954 (E_RNA)
where:
Base-Base interactions energy: -154.743
where: short stacking energy: -72.554
Base-Backbone interact. energy: -0.475
local terms energy: -87.081092
where:
bonds (distance) C4'-P energy: -18.871
bonds (distance) P-C4' energy: -18.284
flat angles C4'-P-C4' energy: -20.948
flat angles P-C4'-P energy: -11.065
tors. eta vs tors. theta energy: -17.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -225.340066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.340066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.340066 (E_RNA)
where:
Base-Base interactions energy: -137.262
where: short stacking energy: -54.422
Base-Backbone interact. energy: -0.184
local terms energy: -87.893879
where:
bonds (distance) C4'-P energy: -19.966
bonds (distance) P-C4' energy: -21.109
flat angles C4'-P-C4' energy: -20.040
flat angles P-C4'-P energy: -10.482
tors. eta vs tors. theta energy: -16.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -171.189934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.189934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.189934 (E_RNA)
where:
Base-Base interactions energy: -105.208
where: short stacking energy: -48.845
Base-Backbone interact. energy: -1.227
local terms energy: -64.754361
where:
bonds (distance) C4'-P energy: -15.463
bonds (distance) P-C4' energy: -20.345
flat angles C4'-P-C4' energy: -14.796
flat angles P-C4'-P energy: -4.168
tors. eta vs tors. theta energy: -9.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -126.675142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.675142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.675142 (E_RNA)
where:
Base-Base interactions energy: -62.160
where: short stacking energy: -36.568
Base-Backbone interact. energy: -0.135
local terms energy: -64.379889
where:
bonds (distance) C4'-P energy: -11.220
bonds (distance) P-C4' energy: -23.899
flat angles C4'-P-C4' energy: -14.048
flat angles P-C4'-P energy: -7.200
tors. eta vs tors. theta energy: -8.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -158.857485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.857485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.857485 (E_RNA)
where:
Base-Base interactions energy: -87.148
where: short stacking energy: -51.502
Base-Backbone interact. energy: 0.955
local terms energy: -72.664885
where:
bonds (distance) C4'-P energy: -21.371
bonds (distance) P-C4' energy: -16.751
flat angles C4'-P-C4' energy: -17.215
flat angles P-C4'-P energy: -4.997
tors. eta vs tors. theta energy: -12.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -100.807308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.807308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.807308 (E_RNA)
where:
Base-Base interactions energy: -37.463
where: short stacking energy: -33.474
Base-Backbone interact. energy: 0.004
local terms energy: -63.347712
where:
bonds (distance) C4'-P energy: -12.019
bonds (distance) P-C4' energy: -18.783
flat angles C4'-P-C4' energy: -18.410
flat angles P-C4'-P energy: -7.871
tors. eta vs tors. theta energy: -6.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -105.630501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.630501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.630501 (E_RNA)
where:
Base-Base interactions energy: -49.430
where: short stacking energy: -35.378
Base-Backbone interact. energy: -1.179
local terms energy: -55.021602
where:
bonds (distance) C4'-P energy: -17.350
bonds (distance) P-C4' energy: -17.441
flat angles C4'-P-C4' energy: -16.375
flat angles P-C4'-P energy: -4.096
tors. eta vs tors. theta energy: 0.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -303.165083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.165083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.165083 (E_RNA)
where:
Base-Base interactions energy: -204.383
where: short stacking energy: -83.809
Base-Backbone interact. energy: -0.359
local terms energy: -98.423769
where:
bonds (distance) C4'-P energy: -16.225
bonds (distance) P-C4' energy: -20.864
flat angles C4'-P-C4' energy: -22.452
flat angles P-C4'-P energy: -16.658
tors. eta vs tors. theta energy: -22.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -270.528122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.528122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.528122 (E_RNA)
where:
Base-Base interactions energy: -174.976
where: short stacking energy: -73.346
Base-Backbone interact. energy: -1.809
local terms energy: -93.743797
where:
bonds (distance) C4'-P energy: -22.447
bonds (distance) P-C4' energy: -20.291
flat angles C4'-P-C4' energy: -19.812
flat angles P-C4'-P energy: -11.565
tors. eta vs tors. theta energy: -19.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -285.297296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.297296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.297296 (E_RNA)
where:
Base-Base interactions energy: -194.988
where: short stacking energy: -93.615
Base-Backbone interact. energy: -0.116
local terms energy: -90.192529
where:
bonds (distance) C4'-P energy: -15.525
bonds (distance) P-C4' energy: -21.582
flat angles C4'-P-C4' energy: -19.701
flat angles P-C4'-P energy: -10.916
tors. eta vs tors. theta energy: -22.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -227.373684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.373684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.373684 (E_RNA)
where:
Base-Base interactions energy: -138.814
where: short stacking energy: -76.263
Base-Backbone interact. energy: -0.202
local terms energy: -88.357689
where:
bonds (distance) C4'-P energy: -20.099
bonds (distance) P-C4' energy: -19.388
flat angles C4'-P-C4' energy: -21.435
flat angles P-C4'-P energy: -10.239
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: 5, replica: 2
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -230.948041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.948041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.948041 (E_RNA)
where:
Base-Base interactions energy: -164.258
where: short stacking energy: -67.957
Base-Backbone interact. energy: -0.046
local terms energy: -66.644057
where:
bonds (distance) C4'-P energy: -15.835
bonds (distance) P-C4' energy: -17.378
flat angles C4'-P-C4' energy: -19.473
flat angles P-C4'-P energy: 0.009
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: 10
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -191.878022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.878022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.878022 (E_RNA)
where:
Base-Base interactions energy: -117.621
where: short stacking energy: -44.363
Base-Backbone interact. energy: -0.950
local terms energy: -73.306882
where:
bonds (distance) C4'-P energy: -14.296
bonds (distance) P-C4' energy: -14.223
flat angles C4'-P-C4' energy: -21.617
flat angles P-C4'-P energy: -12.253
tors. eta vs tors. theta energy: -10.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -117.937808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.937808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.937808 (E_RNA)
where:
Base-Base interactions energy: -51.331
where: short stacking energy: -36.590
Base-Backbone interact. energy: -0.029
local terms energy: -66.578691
where:
bonds (distance) C4'-P energy: -22.600
bonds (distance) P-C4' energy: -18.066
flat angles C4'-P-C4' energy: -16.388
flat angles P-C4'-P energy: -11.142
tors. eta vs tors. theta energy: 1.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -119.076491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.076491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.076491 (E_RNA)
where:
Base-Base interactions energy: -49.093
where: short stacking energy: -30.682
Base-Backbone interact. energy: -0.513
local terms energy: -69.470631
where:
bonds (distance) C4'-P energy: -16.732
bonds (distance) P-C4' energy: -20.673
flat angles C4'-P-C4' energy: -18.008
flat angles P-C4'-P energy: -13.256
tors. eta vs tors. theta energy: -0.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -107.986971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.986971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.986971 (E_RNA)
where:
Base-Base interactions energy: -42.823
where: short stacking energy: -42.823
Base-Backbone interact. energy: -0.125
local terms energy: -65.038776
where:
bonds (distance) C4'-P energy: -16.426
bonds (distance) P-C4' energy: -16.420
flat angles C4'-P-C4' energy: -17.711
flat angles P-C4'-P energy: -6.645
tors. eta vs tors. theta energy: -7.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -100.998361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.998361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.998361 (E_RNA)
where:
Base-Base interactions energy: -48.059
where: short stacking energy: -29.450
Base-Backbone interact. energy: 0.228
local terms energy: -53.167457
where:
bonds (distance) C4'-P energy: -11.618
bonds (distance) P-C4' energy: -14.636
flat angles C4'-P-C4' energy: -18.621
flat angles P-C4'-P energy: -9.955
tors. eta vs tors. theta energy: 1.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -313.061785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.061785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.061785 (E_RNA)
where:
Base-Base interactions energy: -213.458
where: short stacking energy: -85.944
Base-Backbone interact. energy: 0.676
local terms energy: -100.279590
where:
bonds (distance) C4'-P energy: -17.880
bonds (distance) P-C4' energy: -23.494
flat angles C4'-P-C4' energy: -23.397
flat angles P-C4'-P energy: -15.626
tors. eta vs tors. theta energy: -19.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -271.280405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.280405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.280405 (E_RNA)
where:
Base-Base interactions energy: -185.695
where: short stacking energy: -70.072
Base-Backbone interact. energy: -0.706
local terms energy: -84.879570
where:
bonds (distance) C4'-P energy: -19.094
bonds (distance) P-C4' energy: -22.541
flat angles C4'-P-C4' energy: -17.467
flat angles P-C4'-P energy: -10.214
tors. eta vs tors. theta energy: -15.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -299.960274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.960274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.960274 (E_RNA)
where:
Base-Base interactions energy: -202.108
where: short stacking energy: -99.334
Base-Backbone interact. energy: -0.019
local terms energy: -97.832800
where:
bonds (distance) C4'-P energy: -18.631
bonds (distance) P-C4' energy: -11.649
flat angles C4'-P-C4' energy: -22.856
flat angles P-C4'-P energy: -14.872
tors. eta vs tors. theta energy: -29.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -239.099565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.099565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.099565 (E_RNA)
where:
Base-Base interactions energy: -154.074
where: short stacking energy: -77.922
Base-Backbone interact. energy: 1.652
local terms energy: -86.678095
where:
bonds (distance) C4'-P energy: -20.145
bonds (distance) P-C4' energy: -16.853
flat angles C4'-P-C4' energy: -18.944
flat angles P-C4'-P energy: -11.586
tors. eta vs tors. theta energy: -19.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -189.850272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.850272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.850272 (E_RNA)
where:
Base-Base interactions energy: -102.243
where: short stacking energy: -51.498
Base-Backbone interact. energy: -0.375
local terms energy: -87.232346
where:
bonds (distance) C4'-P energy: -17.690
bonds (distance) P-C4' energy: -23.948
flat angles C4'-P-C4' energy: -19.345
flat angles P-C4'-P energy: -12.672
tors. eta vs tors. theta energy: -13.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -220.189230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.189230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.189230 (E_RNA)
where:
Base-Base interactions energy: -141.032
where: short stacking energy: -77.372
Base-Backbone interact. energy: -0.007
local terms energy: -79.149911
where:
bonds (distance) C4'-P energy: -14.970
bonds (distance) P-C4' energy: -20.348
flat angles C4'-P-C4' energy: -9.450
flat angles P-C4'-P energy: -12.856
tors. eta vs tors. theta energy: -21.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -123.474508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.474508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.474508 (E_RNA)
where:
Base-Base interactions energy: -57.944
where: short stacking energy: -49.236
Base-Backbone interact. energy: -0.482
local terms energy: -65.048886
where:
bonds (distance) C4'-P energy: -12.876
bonds (distance) P-C4' energy: -17.839
flat angles C4'-P-C4' energy: -14.046
flat angles P-C4'-P energy: -12.418
tors. eta vs tors. theta energy: -7.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -135.078497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.078497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.078497 (E_RNA)
where:
Base-Base interactions energy: -63.059
where: short stacking energy: -46.602
Base-Backbone interact. energy: -0.094
local terms energy: -71.925627
where:
bonds (distance) C4'-P energy: -19.417
bonds (distance) P-C4' energy: -14.683
flat angles C4'-P-C4' energy: -16.958
flat angles P-C4'-P energy: -9.481
tors. eta vs tors. theta energy: -11.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -120.423297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.423297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.423297 (E_RNA)
where:
Base-Base interactions energy: -57.629
where: short stacking energy: -49.029
Base-Backbone interact. energy: -0.061
local terms energy: -62.733848
where:
bonds (distance) C4'-P energy: -16.357
bonds (distance) P-C4' energy: -11.544
flat angles C4'-P-C4' energy: -15.572
flat angles P-C4'-P energy: -10.402
tors. eta vs tors. theta energy: -8.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -103.107330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.107330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.107330 (E_RNA)
where:
Base-Base interactions energy: -49.590
where: short stacking energy: -49.590
Base-Backbone interact. energy: 0.361
local terms energy: -53.878245
where:
bonds (distance) C4'-P energy: -14.387
bonds (distance) P-C4' energy: -13.196
flat angles C4'-P-C4' energy: -11.834
flat angles P-C4'-P energy: -8.916
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: 1, replica: 7
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -324.837156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.837156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.837156 (E_RNA)
where:
Base-Base interactions energy: -225.215
where: short stacking energy: -94.901
Base-Backbone interact. energy: -0.251
local terms energy: -99.371694
where:
bonds (distance) C4'-P energy: -19.715
bonds (distance) P-C4' energy: -21.212
flat angles C4'-P-C4' energy: -20.069
flat angles P-C4'-P energy: -13.393
tors. eta vs tors. theta energy: -24.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -311.008858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.008858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.008858 (E_RNA)
where:
Base-Base interactions energy: -205.202
where: short stacking energy: -91.770
Base-Backbone interact. energy: -0.018
local terms energy: -105.788557
where:
bonds (distance) C4'-P energy: -20.638
bonds (distance) P-C4' energy: -21.482
flat angles C4'-P-C4' energy: -22.975
flat angles P-C4'-P energy: -12.647
tors. eta vs tors. theta energy: -28.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -272.213094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.213094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.213094 (E_RNA)
where:
Base-Base interactions energy: -182.197
where: short stacking energy: -75.162
Base-Backbone interact. energy: -0.340
local terms energy: -89.675773
where:
bonds (distance) C4'-P energy: -19.263
bonds (distance) P-C4' energy: -18.095
flat angles C4'-P-C4' energy: -19.228
flat angles P-C4'-P energy: -13.595
tors. eta vs tors. theta energy: -19.494
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: 10
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -224.955703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.955703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.955703 (E_RNA)
where:
Base-Base interactions energy: -140.008
where: short stacking energy: -65.016
Base-Backbone interact. energy: -0.195
local terms energy: -84.752729
where:
bonds (distance) C4'-P energy: -22.894
bonds (distance) P-C4' energy: -17.489
flat angles C4'-P-C4' energy: -17.027
flat angles P-C4'-P energy: -15.532
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: 5, replica: 1
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -240.339953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.339953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.339953 (E_RNA)
where:
Base-Base interactions energy: -151.321
where: short stacking energy: -82.273
Base-Backbone interact. energy: -1.002
local terms energy: -88.016856
where:
bonds (distance) C4'-P energy: -15.459
bonds (distance) P-C4' energy: -22.645
flat angles C4'-P-C4' energy: -18.747
flat angles P-C4'-P energy: -14.734
tors. eta vs tors. theta energy: -16.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -203.057821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.057821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.057821 (E_RNA)
where:
Base-Base interactions energy: -119.376
where: short stacking energy: -64.668
Base-Backbone interact. energy: -0.143
local terms energy: -83.539319
where:
bonds (distance) C4'-P energy: -22.214
bonds (distance) P-C4' energy: -21.721
flat angles C4'-P-C4' energy: -12.713
flat angles P-C4'-P energy: -8.509
tors. eta vs tors. theta energy: -18.382
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: 7, replica: 4
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -129.622504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.622504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.622504 (E_RNA)
where:
Base-Base interactions energy: -52.861
where: short stacking energy: -52.861
Base-Backbone interact. energy: 1.099
local terms energy: -77.860342
where:
bonds (distance) C4'-P energy: -20.571
bonds (distance) P-C4' energy: -19.409
flat angles C4'-P-C4' energy: -16.822
flat angles P-C4'-P energy: -9.118
tors. eta vs tors. theta energy: -11.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -111.454888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.454888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.454888 (E_RNA)
where:
Base-Base interactions energy: -57.518
where: short stacking energy: -36.320
Base-Backbone interact. energy: -0.529
local terms energy: -53.407484
where:
bonds (distance) C4'-P energy: -10.713
bonds (distance) P-C4' energy: -22.806
flat angles C4'-P-C4' energy: -16.743
flat angles P-C4'-P energy: -3.429
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: 8
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -129.700777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.700777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.700777 (E_RNA)
where:
Base-Base interactions energy: -52.113
where: short stacking energy: -51.151
Base-Backbone interact. energy: -0.093
local terms energy: -77.494647
where:
bonds (distance) C4'-P energy: -18.163
bonds (distance) P-C4' energy: -18.791
flat angles C4'-P-C4' energy: -20.199
flat angles P-C4'-P energy: -14.384
tors. eta vs tors. theta energy: -5.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -112.168579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.168579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.168579 (E_RNA)
where:
Base-Base interactions energy: -55.714
where: short stacking energy: -33.984
Base-Backbone interact. energy: 2.482
local terms energy: -58.936694
where:
bonds (distance) C4'-P energy: -13.273
bonds (distance) P-C4' energy: -23.970
flat angles C4'-P-C4' energy: -13.349
flat angles P-C4'-P energy: -9.671
tors. eta vs tors. theta energy: 1.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -325.914551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.914551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.914551 (E_RNA)
where:
Base-Base interactions energy: -222.463
where: short stacking energy: -87.630
Base-Backbone interact. energy: -0.193
local terms energy: -103.258450
where:
bonds (distance) C4'-P energy: -22.770
bonds (distance) P-C4' energy: -22.210
flat angles C4'-P-C4' energy: -20.873
flat angles P-C4'-P energy: -12.947
tors. eta vs tors. theta energy: -24.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -305.139399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.139399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.139399 (E_RNA)
where:
Base-Base interactions energy: -210.134
where: short stacking energy: -96.605
Base-Backbone interact. energy: -0.829
local terms energy: -94.176611
where:
bonds (distance) C4'-P energy: -18.688
bonds (distance) P-C4' energy: -20.269
flat angles C4'-P-C4' energy: -20.669
flat angles P-C4'-P energy: -9.394
tors. eta vs tors. theta energy: -25.156
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: 16
Temperature: 1.000000
Total energy: -244.177790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.177790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.177790 (E_RNA)
where:
Base-Base interactions energy: -144.192
where: short stacking energy: -81.422
Base-Backbone interact. energy: 0.294
local terms energy: -100.280635
where:
bonds (distance) C4'-P energy: -20.624
bonds (distance) P-C4' energy: -22.556
flat angles C4'-P-C4' energy: -18.257
flat angles P-C4'-P energy: -16.081
tors. eta vs tors. theta energy: -22.762
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: 16
Temperature: 1.050000
Total energy: -253.778757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.778757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.778757 (E_RNA)
where:
Base-Base interactions energy: -164.981
where: short stacking energy: -70.068
Base-Backbone interact. energy: -0.765
local terms energy: -88.032397
where:
bonds (distance) C4'-P energy: -21.265
bonds (distance) P-C4' energy: -18.671
flat angles C4'-P-C4' energy: -16.573
flat angles P-C4'-P energy: -13.637
tors. eta vs tors. theta energy: -17.887
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: 5, replica: 2
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -205.166800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.166800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.166800 (E_RNA)
where:
Base-Base interactions energy: -113.626
where: short stacking energy: -68.301
Base-Backbone interact. energy: -0.226
local terms energy: -91.315460
where:
bonds (distance) C4'-P energy: -19.352
bonds (distance) P-C4' energy: -16.256
flat angles C4'-P-C4' energy: -21.976
flat angles P-C4'-P energy: -14.245
tors. eta vs tors. theta energy: -19.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -204.981805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.981805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.981805 (E_RNA)
where:
Base-Base interactions energy: -133.932
where: short stacking energy: -61.594
Base-Backbone interact. energy: 0.650
local terms energy: -71.699460
where:
bonds (distance) C4'-P energy: -16.283
bonds (distance) P-C4' energy: -10.242
flat angles C4'-P-C4' energy: -18.342
flat angles P-C4'-P energy: -14.635
tors. eta vs tors. theta energy: -12.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -144.368435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.368435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.368435 (E_RNA)
where:
Base-Base interactions energy: -76.225
where: short stacking energy: -55.786
Base-Backbone interact. energy: -0.174
local terms energy: -67.968898
where:
bonds (distance) C4'-P energy: -16.204
bonds (distance) P-C4' energy: -19.145
flat angles C4'-P-C4' energy: -18.774
flat angles P-C4'-P energy: -6.629
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: 8, replica: 4
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -113.759037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.759037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.759037 (E_RNA)
where:
Base-Base interactions energy: -46.139
where: short stacking energy: -46.139
Base-Backbone interact. energy: -0.205
local terms energy: -67.415701
where:
bonds (distance) C4'-P energy: -14.507
bonds (distance) P-C4' energy: -13.541
flat angles C4'-P-C4' energy: -20.876
flat angles P-C4'-P energy: -13.522
tors. eta vs tors. theta energy: -4.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -98.535447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.535447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.535447 (E_RNA)
where:
Base-Base interactions energy: -44.045
where: short stacking energy: -30.562
Base-Backbone interact. energy: 1.990
local terms energy: -56.480706
where:
bonds (distance) C4'-P energy: -20.504
bonds (distance) P-C4' energy: -14.779
flat angles C4'-P-C4' energy: -13.330
flat angles P-C4'-P energy: -11.765
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: 10, replica: 5
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -121.437740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.437740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.437740 (E_RNA)
where:
Base-Base interactions energy: -56.651
where: short stacking energy: -32.003
Base-Backbone interact. energy: 2.895
local terms energy: -67.681551
where:
bonds (distance) C4'-P energy: -19.052
bonds (distance) P-C4' energy: -24.529
flat angles C4'-P-C4' energy: -10.206
flat angles P-C4'-P energy: -7.354
tors. eta vs tors. theta energy: -6.541
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: 7
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -323.167554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.167554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.167554 (E_RNA)
where:
Base-Base interactions energy: -228.553
where: short stacking energy: -94.371
Base-Backbone interact. energy: -0.084
local terms energy: -94.530761
where:
bonds (distance) C4'-P energy: -22.288
bonds (distance) P-C4' energy: -21.065
flat angles C4'-P-C4' energy: -18.212
flat angles P-C4'-P energy: -7.869
tors. eta vs tors. theta energy: -25.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -314.068571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.068571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.068571 (E_RNA)
where:
Base-Base interactions energy: -204.773
where: short stacking energy: -100.234
Base-Backbone interact. energy: -0.106
local terms energy: -109.189285
where:
bonds (distance) C4'-P energy: -20.477
bonds (distance) P-C4' energy: -21.273
flat angles C4'-P-C4' energy: -21.022
flat angles P-C4'-P energy: -14.846
tors. eta vs tors. theta energy: -31.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -246.630230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.630230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.630230 (E_RNA)
where:
Base-Base interactions energy: -156.521
where: short stacking energy: -81.817
Base-Backbone interact. energy: -0.070
local terms energy: -90.039415
where:
bonds (distance) C4'-P energy: -19.875
bonds (distance) P-C4' energy: -17.099
flat angles C4'-P-C4' energy: -19.038
flat angles P-C4'-P energy: -10.742
tors. eta vs tors. theta energy: -23.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -269.524606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.524606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.524606 (E_RNA)
where:
Base-Base interactions energy: -179.508
where: short stacking energy: -74.303
Base-Backbone interact. energy: -0.716
local terms energy: -89.300538
where:
bonds (distance) C4'-P energy: -18.395
bonds (distance) P-C4' energy: -19.301
flat angles C4'-P-C4' energy: -19.446
flat angles P-C4'-P energy: -13.217
tors. eta vs tors. theta energy: -18.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -214.004565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.004565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.004565 (E_RNA)
where:
Base-Base interactions energy: -130.903
where: short stacking energy: -72.453
Base-Backbone interact. energy: -0.130
local terms energy: -82.971151
where:
bonds (distance) C4'-P energy: -19.471
bonds (distance) P-C4' energy: -20.174
flat angles C4'-P-C4' energy: -17.071
flat angles P-C4'-P energy: -8.820
tors. eta vs tors. theta energy: -17.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -228.264599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.264599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.264599 (E_RNA)
where:
Base-Base interactions energy: -138.770
where: short stacking energy: -75.176
Base-Backbone interact. energy: -0.077
local terms energy: -89.417578
where:
bonds (distance) C4'-P energy: -18.477
bonds (distance) P-C4' energy: -23.004
flat angles C4'-P-C4' energy: -19.558
flat angles P-C4'-P energy: -7.947
tors. eta vs tors. theta energy: -20.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -128.607892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.607892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.607892 (E_RNA)
where:
Base-Base interactions energy: -58.591
where: short stacking energy: -34.191
Base-Backbone interact. energy: 0.238
local terms energy: -70.255145
where:
bonds (distance) C4'-P energy: -14.547
bonds (distance) P-C4' energy: -19.253
flat angles C4'-P-C4' energy: -21.752
flat angles P-C4'-P energy: -12.940
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: 4
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -110.142336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.142336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.142336 (E_RNA)
where:
Base-Base interactions energy: -54.620
where: short stacking energy: -31.155
Base-Backbone interact. energy: 0.112
local terms energy: -55.634331
where:
bonds (distance) C4'-P energy: -20.174
bonds (distance) P-C4' energy: -16.297
flat angles C4'-P-C4' energy: -8.108
flat angles P-C4'-P energy: -8.356
tors. eta vs tors. theta energy: -2.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -122.328233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.328233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.328233 (E_RNA)
where:
Base-Base interactions energy: -56.767
where: short stacking energy: -33.277
Base-Backbone interact. energy: -0.336
local terms energy: -65.225592
where:
bonds (distance) C4'-P energy: -18.987
bonds (distance) P-C4' energy: -21.507
flat angles C4'-P-C4' energy: -8.210
flat angles P-C4'-P energy: -13.047
tors. eta vs tors. theta energy: -3.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -111.380394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.380394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.380394 (E_RNA)
where:
Base-Base interactions energy: -48.268
where: short stacking energy: -45.188
Base-Backbone interact. energy: -0.112
local terms energy: -63.000173
where:
bonds (distance) C4'-P energy: -19.449
bonds (distance) P-C4' energy: -8.426
flat angles C4'-P-C4' energy: -18.328
flat angles P-C4'-P energy: -12.501
tors. eta vs tors. theta energy: -4.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -309.480568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.480568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.480568 (E_RNA)
where:
Base-Base interactions energy: -203.928
where: short stacking energy: -101.827
Base-Backbone interact. energy: 1.425
local terms energy: -106.976938
where:
bonds (distance) C4'-P energy: -15.852
bonds (distance) P-C4' energy: -24.568
flat angles C4'-P-C4' energy: -19.646
flat angles P-C4'-P energy: -17.804
tors. eta vs tors. theta energy: -29.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -325.055272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.055272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.055272 (E_RNA)
where:
Base-Base interactions energy: -228.917
where: short stacking energy: -92.680
Base-Backbone interact. energy: -0.113
local terms energy: -96.025038
where:
bonds (distance) C4'-P energy: -20.538
bonds (distance) P-C4' energy: -20.378
flat angles C4'-P-C4' energy: -18.083
flat angles P-C4'-P energy: -12.392
tors. eta vs tors. theta energy: -24.634
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: 18
Temperature: 1.000000
Total energy: -282.141222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.141222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.141222 (E_RNA)
where:
Base-Base interactions energy: -187.291
where: short stacking energy: -74.848
Base-Backbone interact. energy: -0.429
local terms energy: -94.421189
where:
bonds (distance) C4'-P energy: -20.720
bonds (distance) P-C4' energy: -18.341
flat angles C4'-P-C4' energy: -19.529
flat angles P-C4'-P energy: -14.331
tors. eta vs tors. theta energy: -21.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -236.155294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.155294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.155294 (E_RNA)
where:
Base-Base interactions energy: -145.098
where: short stacking energy: -69.382
Base-Backbone interact. energy: -0.293
local terms energy: -90.764509
where:
bonds (distance) C4'-P energy: -19.650
bonds (distance) P-C4' energy: -20.602
flat angles C4'-P-C4' energy: -19.630
flat angles P-C4'-P energy: -14.659
tors. eta vs tors. theta energy: -16.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -214.927762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.927762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.927762 (E_RNA)
where:
Base-Base interactions energy: -146.115
where: short stacking energy: -67.253
Base-Backbone interact. energy: 0.345
local terms energy: -69.157846
where:
bonds (distance) C4'-P energy: -14.641
bonds (distance) P-C4' energy: -15.122
flat angles C4'-P-C4' energy: -13.761
flat angles P-C4'-P energy: -12.853
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: 6, replica: 2
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -203.967855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.967855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.967855 (E_RNA)
where:
Base-Base interactions energy: -121.940
where: short stacking energy: -68.924
Base-Backbone interact. energy: -0.277
local terms energy: -81.751172
where:
bonds (distance) C4'-P energy: -18.979
bonds (distance) P-C4' energy: -20.151
flat angles C4'-P-C4' energy: -20.606
flat angles P-C4'-P energy: -9.583
tors. eta vs tors. theta energy: -12.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -123.056365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.056365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.056365 (E_RNA)
where:
Base-Base interactions energy: -58.924
where: short stacking energy: -46.798
Base-Backbone interact. energy: 1.023
local terms energy: -65.155397
where:
bonds (distance) C4'-P energy: -13.249
bonds (distance) P-C4' energy: -14.330
flat angles C4'-P-C4' energy: -18.254
flat angles P-C4'-P energy: -11.901
tors. eta vs tors. theta energy: -7.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -108.928653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.928653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.928653 (E_RNA)
where:
Base-Base interactions energy: -40.200
where: short stacking energy: -38.502
Base-Backbone interact. energy: -0.334
local terms energy: -68.395205
where:
bonds (distance) C4'-P energy: -14.466
bonds (distance) P-C4' energy: -17.772
flat angles C4'-P-C4' energy: -16.846
flat angles P-C4'-P energy: -15.544
tors. eta vs tors. theta energy: -3.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -99.590345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.590345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.590345 (E_RNA)
where:
Base-Base interactions energy: -38.263
where: short stacking energy: -38.253
Base-Backbone interact. energy: -0.591
local terms energy: -60.736061
where:
bonds (distance) C4'-P energy: -9.584
bonds (distance) P-C4' energy: -20.098
flat angles C4'-P-C4' energy: -19.473
flat angles P-C4'-P energy: -14.096
tors. eta vs tors. theta energy: 2.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -102.729821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.729821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.729821 (E_RNA)
where:
Base-Base interactions energy: -48.908
where: short stacking energy: -37.615
Base-Backbone interact. energy: 0.171
local terms energy: -53.992402
where:
bonds (distance) C4'-P energy: -9.757
bonds (distance) P-C4' energy: -21.712
flat angles C4'-P-C4' energy: -16.618
flat angles P-C4'-P energy: -4.917
tors. eta vs tors. theta energy: -0.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -318.673265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.673265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.673265 (E_RNA)
where:
Base-Base interactions energy: -206.512
where: short stacking energy: -97.224
Base-Backbone interact. energy: -0.096
local terms energy: -112.064691
where:
bonds (distance) C4'-P energy: -21.801
bonds (distance) P-C4' energy: -21.743
flat angles C4'-P-C4' energy: -23.707
flat angles P-C4'-P energy: -16.931
tors. eta vs tors. theta energy: -27.884
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: 7
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -316.898400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.898400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.898400 (E_RNA)
where:
Base-Base interactions energy: -225.664
where: short stacking energy: -98.634
Base-Backbone interact. energy: -0.122
local terms energy: -91.112243
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -18.610
flat angles C4'-P-C4' energy: -20.657
flat angles P-C4'-P energy: -14.104
tors. eta vs tors. theta energy: -22.981
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: 19
Temperature: 1.000000
Total energy: -266.649648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.649648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.649648 (E_RNA)
where:
Base-Base interactions energy: -180.140
where: short stacking energy: -77.383
Base-Backbone interact. energy: -0.136
local terms energy: -86.373966
where:
bonds (distance) C4'-P energy: -17.463
bonds (distance) P-C4' energy: -16.917
flat angles C4'-P-C4' energy: -16.909
flat angles P-C4'-P energy: -14.565
tors. eta vs tors. theta energy: -20.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -218.570621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.570621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.570621 (E_RNA)
where:
Base-Base interactions energy: -130.587
where: short stacking energy: -59.485
Base-Backbone interact. energy: -0.151
local terms energy: -87.832177
where:
bonds (distance) C4'-P energy: -16.109
bonds (distance) P-C4' energy: -21.386
flat angles C4'-P-C4' energy: -22.916
flat angles P-C4'-P energy: -13.972
tors. eta vs tors. theta energy: -13.448
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: 5, replica: 10
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -220.749893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.749893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.749893 (E_RNA)
where:
Base-Base interactions energy: -146.952
where: short stacking energy: -65.540
Base-Backbone interact. energy: 0.104
local terms energy: -73.902255
where:
bonds (distance) C4'-P energy: -16.729
bonds (distance) P-C4' energy: -19.521
flat angles C4'-P-C4' energy: -17.638
flat angles P-C4'-P energy: -4.933
tors. eta vs tors. theta energy: -15.082
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: 2
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -174.532855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.532855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.532855 (E_RNA)
where:
Base-Base interactions energy: -100.469
where: short stacking energy: -42.237
Base-Backbone interact. energy: -0.431
local terms energy: -73.633610
where:
bonds (distance) C4'-P energy: -16.143
bonds (distance) P-C4' energy: -19.291
flat angles C4'-P-C4' energy: -20.749
flat angles P-C4'-P energy: -15.509
tors. eta vs tors. theta energy: -1.941
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: 7, replica: 4
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -119.470425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.470425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.470425 (E_RNA)
where:
Base-Base interactions energy: -47.172
where: short stacking energy: -29.451
Base-Backbone interact. energy: 0.088
local terms energy: -72.387274
where:
bonds (distance) C4'-P energy: -16.470
bonds (distance) P-C4' energy: -20.719
flat angles C4'-P-C4' energy: -22.439
flat angles P-C4'-P energy: -8.712
tors. eta vs tors. theta energy: -4.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -134.346230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.346230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.346230 (E_RNA)
where:
Base-Base interactions energy: -65.346
where: short stacking energy: -39.472
Base-Backbone interact. energy: 0.604
local terms energy: -69.604500
where:
bonds (distance) C4'-P energy: -16.758
bonds (distance) P-C4' energy: -17.687
flat angles C4'-P-C4' energy: -15.778
flat angles P-C4'-P energy: -11.377
tors. eta vs tors. theta energy: -8.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -102.028920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.028920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.028920 (E_RNA)
where:
Base-Base interactions energy: -41.350
where: short stacking energy: -41.350
Base-Backbone interact. energy: 1.355
local terms energy: -62.034106
where:
bonds (distance) C4'-P energy: -19.775
bonds (distance) P-C4' energy: -20.492
flat angles C4'-P-C4' energy: -16.977
flat angles P-C4'-P energy: -5.743
tors. eta vs tors. theta energy: 0.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -186.429801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.429801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.429801 (E_RNA)
where:
Base-Base interactions energy: -108.347
where: short stacking energy: -51.474
Base-Backbone interact. energy: -0.109
local terms energy: -77.974113
where:
bonds (distance) C4'-P energy: -19.549
bonds (distance) P-C4' energy: -19.553
flat angles C4'-P-C4' energy: -14.569
flat angles P-C4'-P energy: -14.734
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: 1, replica: 7
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -329.489156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.489156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.489156 (E_RNA)
where:
Base-Base interactions energy: -230.150
where: short stacking energy: -91.095
Base-Backbone interact. energy: -0.103
local terms energy: -99.236829
where:
bonds (distance) C4'-P energy: -20.348
bonds (distance) P-C4' energy: -18.841
flat angles C4'-P-C4' energy: -23.195
flat angles P-C4'-P energy: -14.067
tors. eta vs tors. theta energy: -22.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -301.488398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.488398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.488398 (E_RNA)
where:
Base-Base interactions energy: -203.216
where: short stacking energy: -89.614
Base-Backbone interact. energy: -0.286
local terms energy: -97.986979
where:
bonds (distance) C4'-P energy: -16.118
bonds (distance) P-C4' energy: -21.911
flat angles C4'-P-C4' energy: -19.770
flat angles P-C4'-P energy: -14.001
tors. eta vs tors. theta energy: -26.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -273.406327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.406327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.406327 (E_RNA)
where:
Base-Base interactions energy: -175.630
where: short stacking energy: -71.996
Base-Backbone interact. energy: -1.256
local terms energy: -96.520248
where:
bonds (distance) C4'-P energy: -21.569
bonds (distance) P-C4' energy: -20.408
flat angles C4'-P-C4' energy: -20.964
flat angles P-C4'-P energy: -15.506
tors. eta vs tors. theta energy: -18.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -249.860576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.860576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.860576 (E_RNA)
where:
Base-Base interactions energy: -162.795
where: short stacking energy: -65.262
Base-Backbone interact. energy: -0.861
local terms energy: -86.204860
where:
bonds (distance) C4'-P energy: -18.647
bonds (distance) P-C4' energy: -21.653
flat angles C4'-P-C4' energy: -20.399
flat angles P-C4'-P energy: -12.977
tors. eta vs tors. theta energy: -12.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -207.814427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.814427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.814427 (E_RNA)
where:
Base-Base interactions energy: -123.551
where: short stacking energy: -59.057
Base-Backbone interact. energy: -1.972
local terms energy: -82.291253
where:
bonds (distance) C4'-P energy: -19.519
bonds (distance) P-C4' energy: -18.567
flat angles C4'-P-C4' energy: -20.654
flat angles P-C4'-P energy: -10.233
tors. eta vs tors. theta energy: -13.317
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: 10
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -241.140183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.140183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.140183 (E_RNA)
where:
Base-Base interactions energy: -158.308
where: short stacking energy: -58.656
Base-Backbone interact. energy: -0.201
local terms energy: -82.631687
where:
bonds (distance) C4'-P energy: -19.097
bonds (distance) P-C4' energy: -18.489
flat angles C4'-P-C4' energy: -15.289
flat angles P-C4'-P energy: -11.988
tors. eta vs tors. theta energy: -17.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -138.884897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.884897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.884897 (E_RNA)
where:
Base-Base interactions energy: -84.586
where: short stacking energy: -43.523
Base-Backbone interact. energy: 0.148
local terms energy: -54.447725
where:
bonds (distance) C4'-P energy: -14.079
bonds (distance) P-C4' energy: -14.611
flat angles C4'-P-C4' energy: -15.327
flat angles P-C4'-P energy: -6.930
tors. eta vs tors. theta energy: -3.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -113.803774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.803774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.803774 (E_RNA)
where:
Base-Base interactions energy: -49.835
where: short stacking energy: -49.835
Base-Backbone interact. energy: 1.578
local terms energy: -65.546985
where:
bonds (distance) C4'-P energy: -15.828
bonds (distance) P-C4' energy: -20.065
flat angles C4'-P-C4' energy: -13.098
flat angles P-C4'-P energy: -12.315
tors. eta vs tors. theta energy: -4.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -186.085397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.085397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.085397 (E_RNA)
where:
Base-Base interactions energy: -110.853
where: short stacking energy: -51.833
Base-Backbone interact. energy: 0.291
local terms energy: -75.523429
where:
bonds (distance) C4'-P energy: -13.370
bonds (distance) P-C4' energy: -19.150
flat angles C4'-P-C4' energy: -19.909
flat angles P-C4'-P energy: -12.609
tors. eta vs tors. theta energy: -10.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -104.917949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.917949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.917949 (E_RNA)
where:
Base-Base interactions energy: -27.814
where: short stacking energy: -26.908
Base-Backbone interact. energy: -0.366
local terms energy: -76.737549
where:
bonds (distance) C4'-P energy: -21.672
bonds (distance) P-C4' energy: -18.672
flat angles C4'-P-C4' energy: -19.128
flat angles P-C4'-P energy: -16.594
tors. eta vs tors. theta energy: -0.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -325.345276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.345276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.345276 (E_RNA)
where:
Base-Base interactions energy: -235.807
where: short stacking energy: -94.227
Base-Backbone interact. energy: -0.202
local terms energy: -89.336192
where:
bonds (distance) C4'-P energy: -13.396
bonds (distance) P-C4' energy: -20.365
flat angles C4'-P-C4' energy: -17.281
flat angles P-C4'-P energy: -14.168
tors. eta vs tors. theta energy: -24.127
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: 3
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -279.473203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.473203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.473203 (E_RNA)
where:
Base-Base interactions energy: -181.178
where: short stacking energy: -78.896
Base-Backbone interact. energy: -0.884
local terms energy: -97.410989
where:
bonds (distance) C4'-P energy: -19.739
bonds (distance) P-C4' energy: -18.868
flat angles C4'-P-C4' energy: -22.772
flat angles P-C4'-P energy: -12.979
tors. eta vs tors. theta energy: -23.052
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: 21
Temperature: 1.000000
Total energy: -290.309937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.309937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.309937 (E_RNA)
where:
Base-Base interactions energy: -188.053
where: short stacking energy: -81.305
Base-Backbone interact. energy: -0.535
local terms energy: -101.721326
where:
bonds (distance) C4'-P energy: -20.426
bonds (distance) P-C4' energy: -17.718
flat angles C4'-P-C4' energy: -22.066
flat angles P-C4'-P energy: -17.499
tors. eta vs tors. theta energy: -24.013
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: 4, replica: 1
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -243.666881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.666881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.666881 (E_RNA)
where:
Base-Base interactions energy: -154.599
where: short stacking energy: -59.066
Base-Backbone interact. energy: -0.965
local terms energy: -88.102042
where:
bonds (distance) C4'-P energy: -16.605
bonds (distance) P-C4' energy: -23.383
flat angles C4'-P-C4' energy: -18.316
flat angles P-C4'-P energy: -13.225
tors. eta vs tors. theta energy: -16.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -239.528546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.528546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.528546 (E_RNA)
where:
Base-Base interactions energy: -160.644
where: short stacking energy: -73.369
Base-Backbone interact. energy: -0.516
local terms energy: -78.369164
where:
bonds (distance) C4'-P energy: -19.094
bonds (distance) P-C4' energy: -20.300
flat angles C4'-P-C4' energy: -17.885
flat angles P-C4'-P energy: -6.542
tors. eta vs tors. theta energy: -14.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -247.939165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.939165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.939165 (E_RNA)
where:
Base-Base interactions energy: -168.798
where: short stacking energy: -73.028
Base-Backbone interact. energy: -0.116
local terms energy: -79.025535
where:
bonds (distance) C4'-P energy: -17.530
bonds (distance) P-C4' energy: -20.865
flat angles C4'-P-C4' energy: -14.677
flat angles P-C4'-P energy: -7.946
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: 7, replica: 5
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -150.021579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.021579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.021579 (E_RNA)
where:
Base-Base interactions energy: -81.691
where: short stacking energy: -58.682
Base-Backbone interact. energy: -0.326
local terms energy: -68.004203
where:
bonds (distance) C4'-P energy: -19.545
bonds (distance) P-C4' energy: -16.126
flat angles C4'-P-C4' energy: -16.154
flat angles P-C4'-P energy: -8.175
tors. eta vs tors. theta energy: -8.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -200.389401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.389401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.389401 (E_RNA)
where:
Base-Base interactions energy: -130.941
where: short stacking energy: -60.009
Base-Backbone interact. energy: -0.428
local terms energy: -69.020634
where:
bonds (distance) C4'-P energy: -13.529
bonds (distance) P-C4' energy: -16.533
flat angles C4'-P-C4' energy: -16.788
flat angles P-C4'-P energy: -9.069
tors. eta vs tors. theta energy: -13.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -109.016487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.016487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.016487 (E_RNA)
where:
Base-Base interactions energy: -45.080
where: short stacking energy: -35.885
Base-Backbone interact. energy: -0.401
local terms energy: -63.535585
where:
bonds (distance) C4'-P energy: -18.352
bonds (distance) P-C4' energy: -19.358
flat angles C4'-P-C4' energy: -18.497
flat angles P-C4'-P energy: -7.631
tors. eta vs tors. theta energy: 0.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -103.805315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.805315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.805315 (E_RNA)
where:
Base-Base interactions energy: -39.916
where: short stacking energy: -39.916
Base-Backbone interact. energy: -0.049
local terms energy: -63.840455
where:
bonds (distance) C4'-P energy: -15.575
bonds (distance) P-C4' energy: -17.712
flat angles C4'-P-C4' energy: -11.417
flat angles P-C4'-P energy: -9.668
tors. eta vs tors. theta energy: -9.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -325.859256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.859256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.859256 (E_RNA)
where:
Base-Base interactions energy: -226.443
where: short stacking energy: -91.503
Base-Backbone interact. energy: -0.620
local terms energy: -98.796068
where:
bonds (distance) C4'-P energy: -21.781
bonds (distance) P-C4' energy: -17.118
flat angles C4'-P-C4' energy: -19.409
flat angles P-C4'-P energy: -15.718
tors. eta vs tors. theta energy: -24.770
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: 3
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -283.629024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.629024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.629024 (E_RNA)
where:
Base-Base interactions energy: -193.987
where: short stacking energy: -83.187
Base-Backbone interact. energy: -0.200
local terms energy: -89.441977
where:
bonds (distance) C4'-P energy: -21.268
bonds (distance) P-C4' energy: -20.019
flat angles C4'-P-C4' energy: -18.574
flat angles P-C4'-P energy: -8.770
tors. eta vs tors. theta energy: -20.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -306.958244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.958244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.958244 (E_RNA)
where:
Base-Base interactions energy: -205.451
where: short stacking energy: -91.674
Base-Backbone interact. energy: 0.441
local terms energy: -101.948444
where:
bonds (distance) C4'-P energy: -15.367
bonds (distance) P-C4' energy: -18.442
flat angles C4'-P-C4' energy: -22.485
flat angles P-C4'-P energy: -15.192
tors. eta vs tors. theta energy: -30.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -255.051097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.051097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.051097 (E_RNA)
where:
Base-Base interactions energy: -169.943
where: short stacking energy: -55.171
Base-Backbone interact. energy: -0.234
local terms energy: -84.874179
where:
bonds (distance) C4'-P energy: -21.411
bonds (distance) P-C4' energy: -20.231
flat angles C4'-P-C4' energy: -15.739
flat angles P-C4'-P energy: -16.404
tors. eta vs tors. theta energy: -11.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -224.593873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.593873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.593873 (E_RNA)
where:
Base-Base interactions energy: -140.327
where: short stacking energy: -71.757
Base-Backbone interact. energy: -0.281
local terms energy: -83.985372
where:
bonds (distance) C4'-P energy: -21.543
bonds (distance) P-C4' energy: -15.089
flat angles C4'-P-C4' energy: -19.610
flat angles P-C4'-P energy: -15.631
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: 6, replica: 10
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -210.879816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.879816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.879816 (E_RNA)
where:
Base-Base interactions energy: -127.678
where: short stacking energy: -59.086
Base-Backbone interact. energy: 0.467
local terms energy: -83.668796
where:
bonds (distance) C4'-P energy: -17.821
bonds (distance) P-C4' energy: -18.502
flat angles C4'-P-C4' energy: -22.352
flat angles P-C4'-P energy: -13.226
tors. eta vs tors. theta energy: -11.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -186.976918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.976918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.976918 (E_RNA)
where:
Base-Base interactions energy: -108.733
where: short stacking energy: -62.958
Base-Backbone interact. energy: -0.938
local terms energy: -77.305754
where:
bonds (distance) C4'-P energy: -14.986
bonds (distance) P-C4' energy: -19.738
flat angles C4'-P-C4' energy: -18.340
flat angles P-C4'-P energy: -14.154
tors. eta vs tors. theta energy: -10.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -146.793392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.793392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.793392 (E_RNA)
where:
Base-Base interactions energy: -80.796
where: short stacking energy: -38.152
Base-Backbone interact. energy: 0.317
local terms energy: -66.313715
where:
bonds (distance) C4'-P energy: -14.739
bonds (distance) P-C4' energy: -21.578
flat angles C4'-P-C4' energy: -17.367
flat angles P-C4'-P energy: -6.624
tors. eta vs tors. theta energy: -6.006
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: 9
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -103.627256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.627256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.627256 (E_RNA)
where:
Base-Base interactions energy: -41.219
where: short stacking energy: -34.401
Base-Backbone interact. energy: -0.463
local terms energy: -61.945678
where:
bonds (distance) C4'-P energy: -19.250
bonds (distance) P-C4' energy: -18.984
flat angles C4'-P-C4' energy: -21.964
flat angles P-C4'-P energy: -6.243
tors. eta vs tors. theta energy: 4.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -99.230815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.230815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.230815 (E_RNA)
where:
Base-Base interactions energy: -29.312
where: short stacking energy: -25.840
Base-Backbone interact. energy: -0.137
local terms energy: -69.782253
where:
bonds (distance) C4'-P energy: -19.363
bonds (distance) P-C4' energy: -19.722
flat angles C4'-P-C4' energy: -13.337
flat angles P-C4'-P energy: -12.991
tors. eta vs tors. theta energy: -4.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -325.524852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.524852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.524852 (E_RNA)
where:
Base-Base interactions energy: -234.567
where: short stacking energy: -98.290
Base-Backbone interact. energy: -0.232
local terms energy: -90.726361
where:
bonds (distance) C4'-P energy: -16.783
bonds (distance) P-C4' energy: -20.334
flat angles C4'-P-C4' energy: -15.471
flat angles P-C4'-P energy: -11.483
tors. eta vs tors. theta energy: -26.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -306.065217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.065217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.065217 (E_RNA)
where:
Base-Base interactions energy: -207.083
where: short stacking energy: -89.834
Base-Backbone interact. energy: -0.107
local terms energy: -98.875094
where:
bonds (distance) C4'-P energy: -20.455
bonds (distance) P-C4' energy: -18.574
flat angles C4'-P-C4' energy: -20.180
flat angles P-C4'-P energy: -12.234
tors. eta vs tors. theta energy: -27.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -264.977514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.977514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.977514 (E_RNA)
where:
Base-Base interactions energy: -175.669
where: short stacking energy: -79.137
Base-Backbone interact. energy: 0.510
local terms energy: -89.818584
where:
bonds (distance) C4'-P energy: -17.299
bonds (distance) P-C4' energy: -17.753
flat angles C4'-P-C4' energy: -20.353
flat angles P-C4'-P energy: -10.359
tors. eta vs tors. theta energy: -24.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -232.078205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.078205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.078205 (E_RNA)
where:
Base-Base interactions energy: -141.474
where: short stacking energy: -65.905
Base-Backbone interact. energy: 2.476
local terms energy: -93.079695
where:
bonds (distance) C4'-P energy: -23.094
bonds (distance) P-C4' energy: -21.243
flat angles C4'-P-C4' energy: -18.799
flat angles P-C4'-P energy: -12.648
tors. eta vs tors. theta energy: -17.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -244.363440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.363440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.363440 (E_RNA)
where:
Base-Base interactions energy: -155.646
where: short stacking energy: -68.340
Base-Backbone interact. energy: -0.027
local terms energy: -88.690289
where:
bonds (distance) C4'-P energy: -16.282
bonds (distance) P-C4' energy: -18.896
flat angles C4'-P-C4' energy: -22.507
flat angles P-C4'-P energy: -10.252
tors. eta vs tors. theta energy: -20.753
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: 6, replica: 10
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -215.853458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.853458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.853458 (E_RNA)
where:
Base-Base interactions energy: -134.204
where: short stacking energy: -54.493
Base-Backbone interact. energy: -0.208
local terms energy: -81.440997
where:
bonds (distance) C4'-P energy: -17.099
bonds (distance) P-C4' energy: -22.281
flat angles C4'-P-C4' energy: -21.321
flat angles P-C4'-P energy: -11.733
tors. eta vs tors. theta energy: -9.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -199.663481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.663481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.663481 (E_RNA)
where:
Base-Base interactions energy: -117.146
where: short stacking energy: -66.424
Base-Backbone interact. energy: -0.354
local terms energy: -82.163577
where:
bonds (distance) C4'-P energy: -19.333
bonds (distance) P-C4' energy: -21.612
flat angles C4'-P-C4' energy: -17.892
flat angles P-C4'-P energy: -8.539
tors. eta vs tors. theta energy: -14.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -121.014550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.014550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.014550 (E_RNA)
where:
Base-Base interactions energy: -63.996
where: short stacking energy: -44.151
Base-Backbone interact. energy: -0.164
local terms energy: -56.854190
where:
bonds (distance) C4'-P energy: -16.745
bonds (distance) P-C4' energy: -18.902
flat angles C4'-P-C4' energy: -14.977
flat angles P-C4'-P energy: -4.382
tors. eta vs tors. theta energy: -1.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -112.648278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.648278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.648278 (E_RNA)
where:
Base-Base interactions energy: -49.788
where: short stacking energy: -34.938
Base-Backbone interact. energy: -1.722
local terms energy: -61.138365
where:
bonds (distance) C4'-P energy: -19.371
bonds (distance) P-C4' energy: -18.600
flat angles C4'-P-C4' energy: -16.629
flat angles P-C4'-P energy: -7.781
tors. eta vs tors. theta energy: 1.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -110.073985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.073985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.073985 (E_RNA)
where:
Base-Base interactions energy: -50.058
where: short stacking energy: -33.443
Base-Backbone interact. energy: -0.340
local terms energy: -59.676067
where:
bonds (distance) C4'-P energy: -18.853
bonds (distance) P-C4' energy: -18.666
flat angles C4'-P-C4' energy: -11.525
flat angles P-C4'-P energy: -8.086
tors. eta vs tors. theta energy: -2.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -330.745566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.745566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.745566 (E_RNA)
where:
Base-Base interactions energy: -234.721
where: short stacking energy: -92.335
Base-Backbone interact. energy: -0.187
local terms energy: -95.836770
where:
bonds (distance) C4'-P energy: -23.904
bonds (distance) P-C4' energy: -18.761
flat angles C4'-P-C4' energy: -20.774
flat angles P-C4'-P energy: -13.090
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: 2, replica: 6
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -306.933390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.933390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.933390 (E_RNA)
where:
Base-Base interactions energy: -206.124
where: short stacking energy: -83.948
Base-Backbone interact. energy: -0.964
local terms energy: -99.845753
where:
bonds (distance) C4'-P energy: -16.253
bonds (distance) P-C4' energy: -19.746
flat angles C4'-P-C4' energy: -19.901
flat angles P-C4'-P energy: -15.972
tors. eta vs tors. theta energy: -27.974
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: 24
Temperature: 1.000000
Total energy: -268.199586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.199586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.199586 (E_RNA)
where:
Base-Base interactions energy: -176.084
where: short stacking energy: -76.981
Base-Backbone interact. energy: -0.156
local terms energy: -91.959731
where:
bonds (distance) C4'-P energy: -18.179
bonds (distance) P-C4' energy: -20.920
flat angles C4'-P-C4' energy: -17.381
flat angles P-C4'-P energy: -13.999
tors. eta vs tors. theta energy: -21.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -248.393241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.393241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.393241 (E_RNA)
where:
Base-Base interactions energy: -148.234
where: short stacking energy: -77.109
Base-Backbone interact. energy: -1.083
local terms energy: -99.076224
where:
bonds (distance) C4'-P energy: -21.611
bonds (distance) P-C4' energy: -20.672
flat angles C4'-P-C4' energy: -22.879
flat angles P-C4'-P energy: -12.101
tors. eta vs tors. theta energy: -21.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -202.516579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.516579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.516579 (E_RNA)
where:
Base-Base interactions energy: -113.207
where: short stacking energy: -71.335
Base-Backbone interact. energy: -0.426
local terms energy: -88.883824
where:
bonds (distance) C4'-P energy: -12.354
bonds (distance) P-C4' energy: -21.104
flat angles C4'-P-C4' energy: -23.405
flat angles P-C4'-P energy: -12.461
tors. eta vs tors. theta energy: -19.560
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: 24
Temperature: 1.150000
Total energy: -214.047193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.047193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.047193 (E_RNA)
where:
Base-Base interactions energy: -134.689
where: short stacking energy: -70.242
Base-Backbone interact. energy: -0.146
local terms energy: -79.213004
where:
bonds (distance) C4'-P energy: -17.130
bonds (distance) P-C4' energy: -23.103
flat angles C4'-P-C4' energy: -7.097
flat angles P-C4'-P energy: -14.133
tors. eta vs tors. theta energy: -17.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -195.293942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.293942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.293942 (E_RNA)
where:
Base-Base interactions energy: -121.990
where: short stacking energy: -61.283
Base-Backbone interact. energy: 0.592
local terms energy: -73.895716
where:
bonds (distance) C4'-P energy: -20.318
bonds (distance) P-C4' energy: -14.451
flat angles C4'-P-C4' energy: -12.381
flat angles P-C4'-P energy: -9.062
tors. eta vs tors. theta energy: -17.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -126.953405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.953405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.953405 (E_RNA)
where:
Base-Base interactions energy: -47.629
where: short stacking energy: -47.629
Base-Backbone interact. energy: 2.470
local terms energy: -81.794111
where:
bonds (distance) C4'-P energy: -20.372
bonds (distance) P-C4' energy: -15.809
flat angles C4'-P-C4' energy: -21.891
flat angles P-C4'-P energy: -11.236
tors. eta vs tors. theta energy: -12.485
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: 4
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -109.820588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.820588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.820588 (E_RNA)
where:
Base-Base interactions energy: -42.598
where: short stacking energy: -42.598
Base-Backbone interact. energy: 0.833
local terms energy: -68.055052
where:
bonds (distance) C4'-P energy: -16.803
bonds (distance) P-C4' energy: -16.296
flat angles C4'-P-C4' energy: -21.160
flat angles P-C4'-P energy: -2.490
tors. eta vs tors. theta energy: -11.306
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: 5
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -105.945523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.945523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.945523 (E_RNA)
where:
Base-Base interactions energy: -37.945
where: short stacking energy: -36.613
Base-Backbone interact. energy: -0.255
local terms energy: -67.745317
where:
bonds (distance) C4'-P energy: -15.816
bonds (distance) P-C4' energy: -19.774
flat angles C4'-P-C4' energy: -16.995
flat angles P-C4'-P energy: -14.037
tors. eta vs tors. theta energy: -1.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -323.156125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.156125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.156125 (E_RNA)
where:
Base-Base interactions energy: -228.249
where: short stacking energy: -96.393
Base-Backbone interact. energy: -0.105
local terms energy: -94.802051
where:
bonds (distance) C4'-P energy: -17.276
bonds (distance) P-C4' energy: -22.862
flat angles C4'-P-C4' energy: -20.038
flat angles P-C4'-P energy: -12.586
tors. eta vs tors. theta energy: -22.040
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: 6
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -302.268683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.268683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.268683 (E_RNA)
where:
Base-Base interactions energy: -205.296
where: short stacking energy: -82.068
Base-Backbone interact. energy: -0.874
local terms energy: -96.097857
where:
bonds (distance) C4'-P energy: -19.235
bonds (distance) P-C4' energy: -21.063
flat angles C4'-P-C4' energy: -21.921
flat angles P-C4'-P energy: -14.508
tors. eta vs tors. theta energy: -19.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -261.996174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.996174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.996174 (E_RNA)
where:
Base-Base interactions energy: -172.755
where: short stacking energy: -71.757
Base-Backbone interact. energy: -0.264
local terms energy: -88.977155
where:
bonds (distance) C4'-P energy: -19.396
bonds (distance) P-C4' energy: -22.445
flat angles C4'-P-C4' energy: -15.550
flat angles P-C4'-P energy: -14.224
tors. eta vs tors. theta energy: -17.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -241.136976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.136976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.136976 (E_RNA)
where:
Base-Base interactions energy: -156.119
where: short stacking energy: -67.038
Base-Backbone interact. energy: -1.175
local terms energy: -83.842878
where:
bonds (distance) C4'-P energy: -18.100
bonds (distance) P-C4' energy: -18.442
flat angles C4'-P-C4' energy: -19.028
flat angles P-C4'-P energy: -10.678
tors. eta vs tors. theta energy: -17.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -199.278330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.278330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.278330 (E_RNA)
where:
Base-Base interactions energy: -106.929
where: short stacking energy: -66.287
Base-Backbone interact. energy: -0.126
local terms energy: -92.223626
where:
bonds (distance) C4'-P energy: -20.773
bonds (distance) P-C4' energy: -21.844
flat angles C4'-P-C4' energy: -19.466
flat angles P-C4'-P energy: -13.124
tors. eta vs tors. theta energy: -17.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -204.806076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.806076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.806076 (E_RNA)
where:
Base-Base interactions energy: -127.055
where: short stacking energy: -68.424
Base-Backbone interact. energy: -0.265
local terms energy: -77.485879
where:
bonds (distance) C4'-P energy: -15.580
bonds (distance) P-C4' energy: -11.644
flat angles C4'-P-C4' energy: -20.828
flat angles P-C4'-P energy: -15.931
tors. eta vs tors. theta energy: -13.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -207.261429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.261429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.261429 (E_RNA)
where:
Base-Base interactions energy: -127.275
where: short stacking energy: -55.562
Base-Backbone interact. energy: -0.438
local terms energy: -79.548975
where:
bonds (distance) C4'-P energy: -14.749
bonds (distance) P-C4' energy: -21.686
flat angles C4'-P-C4' energy: -21.540
flat angles P-C4'-P energy: -10.307
tors. eta vs tors. theta energy: -11.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -135.093417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.093417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.093417 (E_RNA)
where:
Base-Base interactions energy: -58.969
where: short stacking energy: -50.952
Base-Backbone interact. energy: -0.115
local terms energy: -76.009252
where:
bonds (distance) C4'-P energy: -20.001
bonds (distance) P-C4' energy: -15.228
flat angles C4'-P-C4' energy: -20.150
flat angles P-C4'-P energy: -10.005
tors. eta vs tors. theta energy: -10.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -110.753382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.753382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.753382 (E_RNA)
where:
Base-Base interactions energy: -47.185
where: short stacking energy: -34.848
Base-Backbone interact. energy: 1.038
local terms energy: -64.606484
where:
bonds (distance) C4'-P energy: -15.145
bonds (distance) P-C4' energy: -18.697
flat angles C4'-P-C4' energy: -17.663
flat angles P-C4'-P energy: -9.784
tors. eta vs tors. theta energy: -3.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -101.657745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.657745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.657745 (E_RNA)
where:
Base-Base interactions energy: -32.862
where: short stacking energy: -25.295
Base-Backbone interact. energy: -0.414
local terms energy: -68.382508
where:
bonds (distance) C4'-P energy: -15.371
bonds (distance) P-C4' energy: -19.646
flat angles C4'-P-C4' energy: -16.351
flat angles P-C4'-P energy: -13.941
tors. eta vs tors. theta energy: -3.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -337.646090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.646090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.646090 (E_RNA)
where:
Base-Base interactions energy: -237.433
where: short stacking energy: -104.754
Base-Backbone interact. energy: -0.095
local terms energy: -100.118092
where:
bonds (distance) C4'-P energy: -18.328
bonds (distance) P-C4' energy: -24.184
flat angles C4'-P-C4' energy: -18.664
flat angles P-C4'-P energy: -15.728
tors. eta vs tors. theta energy: -23.214
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: 6
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -309.167971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.167971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.167971 (E_RNA)
where:
Base-Base interactions energy: -209.962
where: short stacking energy: -95.423
Base-Backbone interact. energy: -0.132
local terms energy: -99.073405
where:
bonds (distance) C4'-P energy: -17.375
bonds (distance) P-C4' energy: -18.706
flat angles C4'-P-C4' energy: -21.190
flat angles P-C4'-P energy: -12.209
tors. eta vs tors. theta energy: -29.594
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: 2
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -245.175053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.175053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.175053 (E_RNA)
where:
Base-Base interactions energy: -157.273
where: short stacking energy: -70.968
Base-Backbone interact. energy: 0.457
local terms energy: -88.359459
where:
bonds (distance) C4'-P energy: -18.853
bonds (distance) P-C4' energy: -21.167
flat angles C4'-P-C4' energy: -18.002
flat angles P-C4'-P energy: -15.273
tors. eta vs tors. theta energy: -15.065
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: 26
Temperature: 1.050000
Total energy: -262.006615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.006615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.006615 (E_RNA)
where:
Base-Base interactions energy: -175.999
where: short stacking energy: -67.973
Base-Backbone interact. energy: -0.202
local terms energy: -85.805477
where:
bonds (distance) C4'-P energy: -17.483
bonds (distance) P-C4' energy: -17.524
flat angles C4'-P-C4' energy: -17.802
flat angles P-C4'-P energy: -16.017
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: 5, replica: 8
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -219.074849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.074849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.074849 (E_RNA)
where:
Base-Base interactions energy: -132.449
where: short stacking energy: -69.547
Base-Backbone interact. energy: -0.078
local terms energy: -86.547678
where:
bonds (distance) C4'-P energy: -12.412
bonds (distance) P-C4' energy: -21.520
flat angles C4'-P-C4' energy: -17.592
flat angles P-C4'-P energy: -15.638
tors. eta vs tors. theta energy: -19.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -180.497278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.497278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.497278 (E_RNA)
where:
Base-Base interactions energy: -104.401
where: short stacking energy: -56.987
Base-Backbone interact. energy: 0.431
local terms energy: -76.528097
where:
bonds (distance) C4'-P energy: -20.227
bonds (distance) P-C4' energy: -19.847
flat angles C4'-P-C4' energy: -18.258
flat angles P-C4'-P energy: -10.003
tors. eta vs tors. theta energy: -8.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -203.397010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.397010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.397010 (E_RNA)
where:
Base-Base interactions energy: -126.001
where: short stacking energy: -44.834
Base-Backbone interact. energy: -1.731
local terms energy: -75.665210
where:
bonds (distance) C4'-P energy: -20.182
bonds (distance) P-C4' energy: -19.955
flat angles C4'-P-C4' energy: -17.879
flat angles P-C4'-P energy: -11.267
tors. eta vs tors. theta energy: -6.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -132.247595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.247595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.247595 (E_RNA)
where:
Base-Base interactions energy: -61.282
where: short stacking energy: -27.293
Base-Backbone interact. energy: 1.915
local terms energy: -72.881309
where:
bonds (distance) C4'-P energy: -19.072
bonds (distance) P-C4' energy: -20.586
flat angles C4'-P-C4' energy: -19.292
flat angles P-C4'-P energy: -13.392
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: 9, replica: 9
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -103.625024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.625024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.625024 (E_RNA)
where:
Base-Base interactions energy: -49.890
where: short stacking energy: -26.634
Base-Backbone interact. energy: -1.252
local terms energy: -52.482917
where:
bonds (distance) C4'-P energy: -15.997
bonds (distance) P-C4' energy: -22.228
flat angles C4'-P-C4' energy: -9.964
flat angles P-C4'-P energy: -7.340
tors. eta vs tors. theta energy: 3.046
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: 10, replica: 5
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -134.311931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.311931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.311931 (E_RNA)
where:
Base-Base interactions energy: -72.076
where: short stacking energy: -42.866
Base-Backbone interact. energy: -0.083
local terms energy: -62.153034
where:
bonds (distance) C4'-P energy: -14.590
bonds (distance) P-C4' energy: -18.181
flat angles C4'-P-C4' energy: -13.067
flat angles P-C4'-P energy: -6.530
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: 1, replica: 7
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -327.397353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.397353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.397353 (E_RNA)
where:
Base-Base interactions energy: -221.390
where: short stacking energy: -92.264
Base-Backbone interact. energy: -0.101
local terms energy: -105.906051
where:
bonds (distance) C4'-P energy: -22.364
bonds (distance) P-C4' energy: -23.748
flat angles C4'-P-C4' energy: -23.672
flat angles P-C4'-P energy: -14.445
tors. eta vs tors. theta energy: -21.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -299.517658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.517658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.517658 (E_RNA)
where:
Base-Base interactions energy: -205.235
where: short stacking energy: -87.178
Base-Backbone interact. energy: -0.245
local terms energy: -94.038343
where:
bonds (distance) C4'-P energy: -20.199
bonds (distance) P-C4' energy: -18.418
flat angles C4'-P-C4' energy: -17.373
flat angles P-C4'-P energy: -13.935
tors. eta vs tors. theta energy: -24.112
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: 2
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -252.222579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.222579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.222579 (E_RNA)
where:
Base-Base interactions energy: -173.895
where: short stacking energy: -83.142
Base-Backbone interact. energy: -0.955
local terms energy: -77.372173
where:
bonds (distance) C4'-P energy: -17.007
bonds (distance) P-C4' energy: -19.457
flat angles C4'-P-C4' energy: -21.092
flat angles P-C4'-P energy: -2.827
tors. eta vs tors. theta energy: -16.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -268.828689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.828689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.828689 (E_RNA)
where:
Base-Base interactions energy: -181.518
where: short stacking energy: -75.533
Base-Backbone interact. energy: 0.196
local terms energy: -87.506632
where:
bonds (distance) C4'-P energy: -18.916
bonds (distance) P-C4' energy: -20.323
flat angles C4'-P-C4' energy: -20.109
flat angles P-C4'-P energy: -11.035
tors. eta vs tors. theta energy: -17.124
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: 8
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -252.586872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.586872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.586872 (E_RNA)
where:
Base-Base interactions energy: -174.487
where: short stacking energy: -86.386
Base-Backbone interact. energy: -0.764
local terms energy: -77.336049
where:
bonds (distance) C4'-P energy: -19.997
bonds (distance) P-C4' energy: -11.976
flat angles C4'-P-C4' energy: -16.488
flat angles P-C4'-P energy: -7.741
tors. eta vs tors. theta energy: -21.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -194.133055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.133055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.133055 (E_RNA)
where:
Base-Base interactions energy: -119.402
where: short stacking energy: -64.318
Base-Backbone interact. energy: -0.213
local terms energy: -74.518011
where:
bonds (distance) C4'-P energy: -19.673
bonds (distance) P-C4' energy: -17.753
flat angles C4'-P-C4' energy: -15.657
flat angles P-C4'-P energy: -10.256
tors. eta vs tors. theta energy: -11.179
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: 10
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -177.224518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.224518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.224518 (E_RNA)
where:
Base-Base interactions energy: -110.954
where: short stacking energy: -57.369
Base-Backbone interact. energy: -0.677
local terms energy: -65.593290
where:
bonds (distance) C4'-P energy: -13.476
bonds (distance) P-C4' energy: -15.486
flat angles C4'-P-C4' energy: -15.173
flat angles P-C4'-P energy: -10.565
tors. eta vs tors. theta energy: -10.893
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: 9
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -162.853146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.853146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.853146 (E_RNA)
where:
Base-Base interactions energy: -93.206
where: short stacking energy: -50.176
Base-Backbone interact. energy: -0.993
local terms energy: -68.654596
where:
bonds (distance) C4'-P energy: -12.234
bonds (distance) P-C4' energy: -17.548
flat angles C4'-P-C4' energy: -18.956
flat angles P-C4'-P energy: -7.411
tors. eta vs tors. theta energy: -12.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -117.823797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.823797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.823797 (E_RNA)
where:
Base-Base interactions energy: -44.001
where: short stacking energy: -37.410
Base-Backbone interact. energy: 1.200
local terms energy: -75.022918
where:
bonds (distance) C4'-P energy: -18.822
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -15.062
flat angles P-C4'-P energy: -13.403
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: 10, replica: 5
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -96.350017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.350017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.350017 (E_RNA)
where:
Base-Base interactions energy: -37.965
where: short stacking energy: -32.326
Base-Backbone interact. energy: -0.235
local terms energy: -58.149686
where:
bonds (distance) C4'-P energy: -15.115
bonds (distance) P-C4' energy: -16.104
flat angles C4'-P-C4' energy: -16.286
flat angles P-C4'-P energy: -11.999
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: 1, replica: 7
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -327.294338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.294338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.294338 (E_RNA)
where:
Base-Base interactions energy: -227.151
where: short stacking energy: -88.239
Base-Backbone interact. energy: -0.557
local terms energy: -99.586059
where:
bonds (distance) C4'-P energy: -19.698
bonds (distance) P-C4' energy: -20.595
flat angles C4'-P-C4' energy: -22.378
flat angles P-C4'-P energy: -13.163
tors. eta vs tors. theta energy: -23.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -310.851924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.851924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.851924 (E_RNA)
where:
Base-Base interactions energy: -220.766
where: short stacking energy: -88.741
Base-Backbone interact. energy: -0.089
local terms energy: -89.996492
where:
bonds (distance) C4'-P energy: -19.136
bonds (distance) P-C4' energy: -19.679
flat angles C4'-P-C4' energy: -20.271
flat angles P-C4'-P energy: -8.856
tors. eta vs tors. theta energy: -22.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -280.554262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.554262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.554262 (E_RNA)
where:
Base-Base interactions energy: -185.204
where: short stacking energy: -69.289
Base-Backbone interact. energy: 0.357
local terms energy: -95.707078
where:
bonds (distance) C4'-P energy: -18.398
bonds (distance) P-C4' energy: -21.568
flat angles C4'-P-C4' energy: -20.161
flat angles P-C4'-P energy: -17.572
tors. eta vs tors. theta energy: -18.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -231.594804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.594804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.594804 (E_RNA)
where:
Base-Base interactions energy: -145.990
where: short stacking energy: -72.718
Base-Backbone interact. energy: -0.257
local terms energy: -85.347721
where:
bonds (distance) C4'-P energy: -19.950
bonds (distance) P-C4' energy: -16.337
flat angles C4'-P-C4' energy: -18.492
flat angles P-C4'-P energy: -16.513
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: 5, replica: 1
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -212.611130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.611130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.611130 (E_RNA)
where:
Base-Base interactions energy: -135.596
where: short stacking energy: -57.620
Base-Backbone interact. energy: -0.094
local terms energy: -76.921492
where:
bonds (distance) C4'-P energy: -17.546
bonds (distance) P-C4' energy: -20.885
flat angles C4'-P-C4' energy: -22.266
flat angles P-C4'-P energy: -7.264
tors. eta vs tors. theta energy: -8.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -248.487351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.487351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.487351 (E_RNA)
where:
Base-Base interactions energy: -160.847
where: short stacking energy: -68.719
Base-Backbone interact. energy: -0.007
local terms energy: -87.632969
where:
bonds (distance) C4'-P energy: -17.927
bonds (distance) P-C4' energy: -17.237
flat angles C4'-P-C4' energy: -21.323
flat angles P-C4'-P energy: -9.581
tors. eta vs tors. theta energy: -21.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -170.890126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.890126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.890126 (E_RNA)
where:
Base-Base interactions energy: -90.577
where: short stacking energy: -44.470
Base-Backbone interact. energy: -0.666
local terms energy: -79.647291
where:
bonds (distance) C4'-P energy: -17.442
bonds (distance) P-C4' energy: -20.147
flat angles C4'-P-C4' energy: -18.413
flat angles P-C4'-P energy: -8.853
tors. eta vs tors. theta energy: -14.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -173.373312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.373312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.373312 (E_RNA)
where:
Base-Base interactions energy: -111.563
where: short stacking energy: -53.859
Base-Backbone interact. energy: -0.238
local terms energy: -61.572216
where:
bonds (distance) C4'-P energy: -12.370
bonds (distance) P-C4' energy: -13.867
flat angles C4'-P-C4' energy: -20.316
flat angles P-C4'-P energy: -10.066
tors. eta vs tors. theta energy: -4.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -126.189864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.189864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.189864 (E_RNA)
where:
Base-Base interactions energy: -71.159
where: short stacking energy: -40.979
Base-Backbone interact. energy: 1.567
local terms energy: -56.597514
where:
bonds (distance) C4'-P energy: -19.722
bonds (distance) P-C4' energy: -18.970
flat angles C4'-P-C4' energy: -11.934
flat angles P-C4'-P energy: -6.378
tors. eta vs tors. theta energy: 0.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -95.548798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.548798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.548798 (E_RNA)
where:
Base-Base interactions energy: -50.127
where: short stacking energy: -33.172
Base-Backbone interact. energy: 0.331
local terms energy: -45.752784
where:
bonds (distance) C4'-P energy: -19.735
bonds (distance) P-C4' energy: -14.721
flat angles C4'-P-C4' energy: -12.984
flat angles P-C4'-P energy: 2.381
tors. eta vs tors. theta energy: -0.693
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: 7
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -334.212072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.212072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.212072 (E_RNA)
where:
Base-Base interactions energy: -238.420
where: short stacking energy: -90.463
Base-Backbone interact. energy: -0.154
local terms energy: -95.638062
where:
bonds (distance) C4'-P energy: -18.142
bonds (distance) P-C4' energy: -20.908
flat angles C4'-P-C4' energy: -22.053
flat angles P-C4'-P energy: -16.372
tors. eta vs tors. theta energy: -18.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -284.781005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.781005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.781005 (E_RNA)
where:
Base-Base interactions energy: -194.576
where: short stacking energy: -80.056
Base-Backbone interact. energy: -1.085
local terms energy: -89.120722
where:
bonds (distance) C4'-P energy: -22.136
bonds (distance) P-C4' energy: -24.254
flat angles C4'-P-C4' energy: -21.211
flat angles P-C4'-P energy: -5.430
tors. eta vs tors. theta energy: -16.089
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: 3, replica: 6
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -294.490958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.490958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.490958 (E_RNA)
where:
Base-Base interactions energy: -189.292
where: short stacking energy: -75.593
Base-Backbone interact. energy: -0.069
local terms energy: -105.129154
where:
bonds (distance) C4'-P energy: -22.318
bonds (distance) P-C4' energy: -20.517
flat angles C4'-P-C4' energy: -19.837
flat angles P-C4'-P energy: -14.178
tors. eta vs tors. theta energy: -28.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -256.914193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.914193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.914193 (E_RNA)
where:
Base-Base interactions energy: -168.818
where: short stacking energy: -66.075
Base-Backbone interact. energy: -0.516
local terms energy: -87.580094
where:
bonds (distance) C4'-P energy: -18.137
bonds (distance) P-C4' energy: -20.581
flat angles C4'-P-C4' energy: -21.744
flat angles P-C4'-P energy: -11.380
tors. eta vs tors. theta energy: -15.738
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: 2
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -223.322912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.322912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.322912 (E_RNA)
where:
Base-Base interactions energy: -138.108
where: short stacking energy: -67.881
Base-Backbone interact. energy: -0.069
local terms energy: -85.145756
where:
bonds (distance) C4'-P energy: -20.327
bonds (distance) P-C4' energy: -15.944
flat angles C4'-P-C4' energy: -21.863
flat angles P-C4'-P energy: -14.536
tors. eta vs tors. theta energy: -12.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -260.495585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.495585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.495585 (E_RNA)
where:
Base-Base interactions energy: -173.722
where: short stacking energy: -66.271
Base-Backbone interact. energy: -0.228
local terms energy: -86.545589
where:
bonds (distance) C4'-P energy: -14.933
bonds (distance) P-C4' energy: -18.670
flat angles C4'-P-C4' energy: -19.209
flat angles P-C4'-P energy: -10.746
tors. eta vs tors. theta energy: -22.989
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: 10
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -166.855223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.855223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.855223 (E_RNA)
where:
Base-Base interactions energy: -99.969
where: short stacking energy: -55.617
Base-Backbone interact. energy: -0.004
local terms energy: -66.881677
where:
bonds (distance) C4'-P energy: -15.273
bonds (distance) P-C4' energy: -17.231
flat angles C4'-P-C4' energy: -12.316
flat angles P-C4'-P energy: -12.797
tors. eta vs tors. theta energy: -9.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -159.206782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.206782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.206782 (E_RNA)
where:
Base-Base interactions energy: -84.331
where: short stacking energy: -39.748
Base-Backbone interact. energy: -0.479
local terms energy: -74.397417
where:
bonds (distance) C4'-P energy: -16.845
bonds (distance) P-C4' energy: -21.028
flat angles C4'-P-C4' energy: -18.441
flat angles P-C4'-P energy: -11.681
tors. eta vs tors. theta energy: -6.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -111.123103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.123103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.123103 (E_RNA)
where:
Base-Base interactions energy: -54.204
where: short stacking energy: -35.491
Base-Backbone interact. energy: 0.755
local terms energy: -57.674806
where:
bonds (distance) C4'-P energy: -14.788
bonds (distance) P-C4' energy: -18.674
flat angles C4'-P-C4' energy: -13.131
flat angles P-C4'-P energy: -9.182
tors. eta vs tors. theta energy: -1.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -105.789542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.789542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.789542 (E_RNA)
where:
Base-Base interactions energy: -45.038
where: short stacking energy: -35.560
Base-Backbone interact. energy: 2.236
local terms energy: -62.986847
where:
bonds (distance) C4'-P energy: -18.168
bonds (distance) P-C4' energy: -13.074
flat angles C4'-P-C4' energy: -12.516
flat angles P-C4'-P energy: -10.052
tors. eta vs tors. theta energy: -9.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -322.562242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.562242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.562242 (E_RNA)
where:
Base-Base interactions energy: -226.594
where: short stacking energy: -87.127
Base-Backbone interact. energy: -0.198
local terms energy: -95.770255
where:
bonds (distance) C4'-P energy: -22.493
bonds (distance) P-C4' energy: -20.233
flat angles C4'-P-C4' energy: -16.698
flat angles P-C4'-P energy: -15.176
tors. eta vs tors. theta energy: -21.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -291.700199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.700199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.700199 (E_RNA)
where:
Base-Base interactions energy: -195.785
where: short stacking energy: -77.090
Base-Backbone interact. energy: -0.445
local terms energy: -95.470420
where:
bonds (distance) C4'-P energy: -21.934
bonds (distance) P-C4' energy: -19.347
flat angles C4'-P-C4' energy: -19.252
flat angles P-C4'-P energy: -14.166
tors. eta vs tors. theta energy: -20.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -295.467704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.467704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.467704 (E_RNA)
where:
Base-Base interactions energy: -196.255
where: short stacking energy: -87.208
Base-Backbone interact. energy: -0.003
local terms energy: -99.209143
where:
bonds (distance) C4'-P energy: -17.944
bonds (distance) P-C4' energy: -20.912
flat angles C4'-P-C4' energy: -18.958
flat angles P-C4'-P energy: -15.880
tors. eta vs tors. theta energy: -25.516
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: 1
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -262.659547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.659547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.659547 (E_RNA)
where:
Base-Base interactions energy: -183.340
where: short stacking energy: -74.713
Base-Backbone interact. energy: 1.109
local terms energy: -80.428037
where:
bonds (distance) C4'-P energy: -19.260
bonds (distance) P-C4' energy: -13.974
flat angles C4'-P-C4' energy: -18.158
flat angles P-C4'-P energy: -10.234
tors. eta vs tors. theta energy: -18.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -292.533377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.533377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.533377 (E_RNA)
where:
Base-Base interactions energy: -204.550
where: short stacking energy: -84.352
Base-Backbone interact. energy: -0.102
local terms energy: -87.881133
where:
bonds (distance) C4'-P energy: -18.870
bonds (distance) P-C4' energy: -17.071
flat angles C4'-P-C4' energy: -17.293
flat angles P-C4'-P energy: -10.674
tors. eta vs tors. theta energy: -23.973
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: 2
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -205.755154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.755154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.755154 (E_RNA)
where:
Base-Base interactions energy: -121.750
where: short stacking energy: -44.229
Base-Backbone interact. energy: -1.216
local terms energy: -82.789288
where:
bonds (distance) C4'-P energy: -20.939
bonds (distance) P-C4' energy: -23.551
flat angles C4'-P-C4' energy: -16.910
flat angles P-C4'-P energy: -14.289
tors. eta vs tors. theta energy: -7.101
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: 10
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -172.651710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.651710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.651710 (E_RNA)
where:
Base-Base interactions energy: -87.962
where: short stacking energy: -50.240
Base-Backbone interact. energy: -0.429
local terms energy: -84.260237
where:
bonds (distance) C4'-P energy: -16.758
bonds (distance) P-C4' energy: -16.560
flat angles C4'-P-C4' energy: -18.460
flat angles P-C4'-P energy: -16.263
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: 8, replica: 9
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -158.679411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.679411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.679411 (E_RNA)
where:
Base-Base interactions energy: -97.740
where: short stacking energy: -44.057
Base-Backbone interact. energy: 0.331
local terms energy: -61.270240
where:
bonds (distance) C4'-P energy: -12.326
bonds (distance) P-C4' energy: -16.602
flat angles C4'-P-C4' energy: -16.068
flat angles P-C4'-P energy: -9.380
tors. eta vs tors. theta energy: -6.895
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: 9, replica: 4
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -106.227867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.227867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.227867 (E_RNA)
where:
Base-Base interactions energy: -33.252
where: short stacking energy: -32.344
Base-Backbone interact. energy: -0.715
local terms energy: -72.261226
where:
bonds (distance) C4'-P energy: -20.862
bonds (distance) P-C4' energy: -20.376
flat angles C4'-P-C4' energy: -18.267
flat angles P-C4'-P energy: -7.394
tors. eta vs tors. theta energy: -5.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -93.488649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.488649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.488649 (E_RNA)
where:
Base-Base interactions energy: -37.214
where: short stacking energy: -23.762
Base-Backbone interact. energy: -0.056
local terms energy: -56.218454
where:
bonds (distance) C4'-P energy: -16.294
bonds (distance) P-C4' energy: -18.761
flat angles C4'-P-C4' energy: -20.790
flat angles P-C4'-P energy: -7.821
tors. eta vs tors. theta energy: 7.447
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: 1, replica: 7
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -317.122935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.122935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.122935 (E_RNA)
where:
Base-Base interactions energy: -223.937
where: short stacking energy: -91.608
Base-Backbone interact. energy: -0.456
local terms energy: -92.729930
where:
bonds (distance) C4'-P energy: -21.134
bonds (distance) P-C4' energy: -17.128
flat angles C4'-P-C4' energy: -19.991
flat angles P-C4'-P energy: -10.384
tors. eta vs tors. theta energy: -24.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -297.586814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.586814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.586814 (E_RNA)
where:
Base-Base interactions energy: -189.966
where: short stacking energy: -87.439
Base-Backbone interact. energy: -0.005
local terms energy: -107.615657
where:
bonds (distance) C4'-P energy: -21.094
bonds (distance) P-C4' energy: -22.772
flat angles C4'-P-C4' energy: -20.735
flat angles P-C4'-P energy: -15.608
tors. eta vs tors. theta energy: -27.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -289.566459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.566459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.566459 (E_RNA)
where:
Base-Base interactions energy: -207.963
where: short stacking energy: -66.927
Base-Backbone interact. energy: -0.386
local terms energy: -81.217632
where:
bonds (distance) C4'-P energy: -18.088
bonds (distance) P-C4' energy: -21.809
flat angles C4'-P-C4' energy: -22.168
flat angles P-C4'-P energy: -1.528
tors. eta vs tors. theta energy: -17.625
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: 8
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -313.350967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.350967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.350967 (E_RNA)
where:
Base-Base interactions energy: -226.318
where: short stacking energy: -91.091
Base-Backbone interact. energy: -1.041
local terms energy: -85.991251
where:
bonds (distance) C4'-P energy: -16.202
bonds (distance) P-C4' energy: -17.042
flat angles C4'-P-C4' energy: -17.305
flat angles P-C4'-P energy: -12.014
tors. eta vs tors. theta energy: -23.427
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: 5, replica: 1
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -245.742825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.742825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.742825 (E_RNA)
where:
Base-Base interactions energy: -158.881
where: short stacking energy: -58.740
Base-Backbone interact. energy: -0.233
local terms energy: -86.628452
where:
bonds (distance) C4'-P energy: -20.140
bonds (distance) P-C4' energy: -19.851
flat angles C4'-P-C4' energy: -19.772
flat angles P-C4'-P energy: -10.178
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: 6, replica: 2
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -189.584280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.584280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.584280 (E_RNA)
where:
Base-Base interactions energy: -103.511
where: short stacking energy: -58.791
Base-Backbone interact. energy: -0.471
local terms energy: -85.601761
where:
bonds (distance) C4'-P energy: -18.249
bonds (distance) P-C4' energy: -22.430
flat angles C4'-P-C4' energy: -16.295
flat angles P-C4'-P energy: -14.341
tors. eta vs tors. theta energy: -14.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -176.544160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.544160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.544160 (E_RNA)
where:
Base-Base interactions energy: -106.171
where: short stacking energy: -58.601
Base-Backbone interact. energy: 0.960
local terms energy: -71.333494
where:
bonds (distance) C4'-P energy: -19.825
bonds (distance) P-C4' energy: -12.802
flat angles C4'-P-C4' energy: -21.016
flat angles P-C4'-P energy: -6.534
tors. eta vs tors. theta energy: -11.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -145.589475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.589475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.589475 (E_RNA)
where:
Base-Base interactions energy: -72.751
where: short stacking energy: -34.002
Base-Backbone interact. energy: -0.103
local terms energy: -72.735358
where:
bonds (distance) C4'-P energy: -17.227
bonds (distance) P-C4' energy: -20.387
flat angles C4'-P-C4' energy: -12.752
flat angles P-C4'-P energy: -14.798
tors. eta vs tors. theta energy: -7.572
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: 9, replica: 4
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -98.332738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.332738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.332738 (E_RNA)
where:
Base-Base interactions energy: -39.683
where: short stacking energy: -38.165
Base-Backbone interact. energy: -0.263
local terms energy: -58.386686
where:
bonds (distance) C4'-P energy: -16.203
bonds (distance) P-C4' energy: -19.220
flat angles C4'-P-C4' energy: -14.940
flat angles P-C4'-P energy: -5.270
tors. eta vs tors. theta energy: -2.754
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: 10, replica: 5
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -86.042447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.042447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.042447 (E_RNA)
where:
Base-Base interactions energy: -30.855
where: short stacking energy: -18.379
Base-Backbone interact. energy: 0.344
local terms energy: -55.531662
where:
bonds (distance) C4'-P energy: -19.577
bonds (distance) P-C4' energy: -17.382
flat angles C4'-P-C4' energy: -15.211
flat angles P-C4'-P energy: -5.109
tors. eta vs tors. theta energy: 1.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -315.473698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.473698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.473698 (E_RNA)
where:
Base-Base interactions energy: -210.271
where: short stacking energy: -95.974
Base-Backbone interact. energy: 0.147
local terms energy: -105.349487
where:
bonds (distance) C4'-P energy: -21.594
bonds (distance) P-C4' energy: -18.873
flat angles C4'-P-C4' energy: -22.790
flat angles P-C4'-P energy: -13.159
tors. eta vs tors. theta energy: -28.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -315.128666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.128666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.128666 (E_RNA)
where:
Base-Base interactions energy: -219.324
where: short stacking energy: -85.679
Base-Backbone interact. energy: -0.582
local terms energy: -95.222809
where:
bonds (distance) C4'-P energy: -21.173
bonds (distance) P-C4' energy: -17.474
flat angles C4'-P-C4' energy: -19.143
flat angles P-C4'-P energy: -17.270
tors. eta vs tors. theta energy: -20.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -294.632517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.632517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.632517 (E_RNA)
where:
Base-Base interactions energy: -205.830
where: short stacking energy: -83.955
Base-Backbone interact. energy: -0.529
local terms energy: -88.274246
where:
bonds (distance) C4'-P energy: -17.898
bonds (distance) P-C4' energy: -20.831
flat angles C4'-P-C4' energy: -19.337
flat angles P-C4'-P energy: -6.129
tors. eta vs tors. theta energy: -24.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -289.702506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.702506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.702506 (E_RNA)
where:
Base-Base interactions energy: -202.476
where: short stacking energy: -73.061
Base-Backbone interact. energy: -0.629
local terms energy: -86.597341
where:
bonds (distance) C4'-P energy: -13.559
bonds (distance) P-C4' energy: -20.950
flat angles C4'-P-C4' energy: -20.241
flat angles P-C4'-P energy: -11.371
tors. eta vs tors. theta energy: -20.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -188.090518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.090518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.090518 (E_RNA)
where:
Base-Base interactions energy: -114.487
where: short stacking energy: -57.049
Base-Backbone interact. energy: -0.489
local terms energy: -73.114853
where:
bonds (distance) C4'-P energy: -14.449
bonds (distance) P-C4' energy: -20.358
flat angles C4'-P-C4' energy: -14.955
flat angles P-C4'-P energy: -8.605
tors. eta vs tors. theta energy: -14.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -239.728853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.728853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.728853 (E_RNA)
where:
Base-Base interactions energy: -159.582
where: short stacking energy: -62.933
Base-Backbone interact. energy: -0.254
local terms energy: -79.892073
where:
bonds (distance) C4'-P energy: -15.493
bonds (distance) P-C4' energy: -20.614
flat angles C4'-P-C4' energy: -18.564
flat angles P-C4'-P energy: -9.882
tors. eta vs tors. theta energy: -15.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -160.690726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.690726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.690726 (E_RNA)
where:
Base-Base interactions energy: -92.167
where: short stacking energy: -51.712
Base-Backbone interact. energy: 0.135
local terms energy: -68.659067
where:
bonds (distance) C4'-P energy: -10.709
bonds (distance) P-C4' energy: -22.191
flat angles C4'-P-C4' energy: -13.330
flat angles P-C4'-P energy: -13.917
tors. eta vs tors. theta energy: -8.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -150.313466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.313466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.313466 (E_RNA)
where:
Base-Base interactions energy: -75.898
where: short stacking energy: -52.799
Base-Backbone interact. energy: -0.303
local terms energy: -74.112475
where:
bonds (distance) C4'-P energy: -20.809
bonds (distance) P-C4' energy: -16.282
flat angles C4'-P-C4' energy: -14.664
flat angles P-C4'-P energy: -9.775
tors. eta vs tors. theta energy: -12.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -106.277029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.277029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.277029 (E_RNA)
where:
Base-Base interactions energy: -39.628
where: short stacking energy: -27.370
Base-Backbone interact. energy: -0.649
local terms energy: -65.999879
where:
bonds (distance) C4'-P energy: -17.822
bonds (distance) P-C4' energy: -21.200
flat angles C4'-P-C4' energy: -14.880
flat angles P-C4'-P energy: -12.317
tors. eta vs tors. theta energy: 0.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -96.245998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.245998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.245998 (E_RNA)
where:
Base-Base interactions energy: -37.515
where: short stacking energy: -37.515
Base-Backbone interact. energy: -0.254
local terms energy: -58.476856
where:
bonds (distance) C4'-P energy: -17.235
bonds (distance) P-C4' energy: -20.632
flat angles C4'-P-C4' energy: -7.671
flat angles P-C4'-P energy: -8.524
tors. eta vs tors. theta energy: -4.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -315.895461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.895461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.895461 (E_RNA)
where:
Base-Base interactions energy: -206.370
where: short stacking energy: -94.130
Base-Backbone interact. energy: -0.277
local terms energy: -109.248426
where:
bonds (distance) C4'-P energy: -21.204
bonds (distance) P-C4' energy: -20.014
flat angles C4'-P-C4' energy: -24.064
flat angles P-C4'-P energy: -10.572
tors. eta vs tors. theta energy: -33.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -310.310423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.310423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.310423 (E_RNA)
where:
Base-Base interactions energy: -215.187
where: short stacking energy: -86.153
Base-Backbone interact. energy: -1.349
local terms energy: -93.774910
where:
bonds (distance) C4'-P energy: -16.609
bonds (distance) P-C4' energy: -23.878
flat angles C4'-P-C4' energy: -21.255
flat angles P-C4'-P energy: -11.502
tors. eta vs tors. theta energy: -20.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -316.649477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.649477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.649477 (E_RNA)
where:
Base-Base interactions energy: -217.825
where: short stacking energy: -86.221
Base-Backbone interact. energy: -0.914
local terms energy: -97.910502
where:
bonds (distance) C4'-P energy: -16.398
bonds (distance) P-C4' energy: -21.965
flat angles C4'-P-C4' energy: -22.517
flat angles P-C4'-P energy: -14.677
tors. eta vs tors. theta energy: -22.354
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: 4, replica: 3
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -270.198356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.198356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.198356 (E_RNA)
where:
Base-Base interactions energy: -180.160
where: short stacking energy: -66.790
Base-Backbone interact. energy: -0.978
local terms energy: -89.060218
where:
bonds (distance) C4'-P energy: -20.789
bonds (distance) P-C4' energy: -19.335
flat angles C4'-P-C4' energy: -20.697
flat angles P-C4'-P energy: -12.544
tors. eta vs tors. theta energy: -15.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -181.323002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.323002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.323002 (E_RNA)
where:
Base-Base interactions energy: -107.607
where: short stacking energy: -62.141
Base-Backbone interact. energy: -0.237
local terms energy: -73.479255
where:
bonds (distance) C4'-P energy: -13.963
bonds (distance) P-C4' energy: -21.130
flat angles C4'-P-C4' energy: -18.566
flat angles P-C4'-P energy: -6.268
tors. eta vs tors. theta energy: -13.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -174.492769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.492769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.492769 (E_RNA)
where:
Base-Base interactions energy: -99.804
where: short stacking energy: -62.702
Base-Backbone interact. energy: -0.044
local terms energy: -74.644705
where:
bonds (distance) C4'-P energy: -13.814
bonds (distance) P-C4' energy: -16.663
flat angles C4'-P-C4' energy: -19.482
flat angles P-C4'-P energy: -16.800
tors. eta vs tors. theta energy: -7.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -220.152274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.152274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.152274 (E_RNA)
where:
Base-Base interactions energy: -145.109
where: short stacking energy: -58.631
Base-Backbone interact. energy: -1.142
local terms energy: -73.901161
where:
bonds (distance) C4'-P energy: -17.682
bonds (distance) P-C4' energy: -20.492
flat angles C4'-P-C4' energy: -14.431
flat angles P-C4'-P energy: -10.244
tors. eta vs tors. theta energy: -11.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -152.761600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.761600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.761600 (E_RNA)
where:
Base-Base interactions energy: -87.196
where: short stacking energy: -52.784
Base-Backbone interact. energy: -0.240
local terms energy: -65.325776
where:
bonds (distance) C4'-P energy: -19.705
bonds (distance) P-C4' energy: -11.363
flat angles C4'-P-C4' energy: -20.002
flat angles P-C4'-P energy: -8.250
tors. eta vs tors. theta energy: -6.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -98.890746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.890746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.890746 (E_RNA)
where:
Base-Base interactions energy: -47.866
where: short stacking energy: -32.571
Base-Backbone interact. energy: -0.294
local terms energy: -50.730137
where:
bonds (distance) C4'-P energy: -15.711
bonds (distance) P-C4' energy: -22.489
flat angles C4'-P-C4' energy: -11.847
flat angles P-C4'-P energy: -2.554
tors. eta vs tors. theta energy: 1.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -121.059462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.059462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.059462 (E_RNA)
where:
Base-Base interactions energy: -51.289
where: short stacking energy: -29.404
Base-Backbone interact. energy: -0.218
local terms energy: -69.552973
where:
bonds (distance) C4'-P energy: -17.975
bonds (distance) P-C4' energy: -18.126
flat angles C4'-P-C4' energy: -21.964
flat angles P-C4'-P energy: -7.723
tors. eta vs tors. theta energy: -3.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -323.721407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.721407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.721407 (E_RNA)
where:
Base-Base interactions energy: -225.458
where: short stacking energy: -81.999
Base-Backbone interact. energy: -0.138
local terms energy: -98.125750
where:
bonds (distance) C4'-P energy: -21.003
bonds (distance) P-C4' energy: -16.722
flat angles C4'-P-C4' energy: -21.689
flat angles P-C4'-P energy: -12.691
tors. eta vs tors. theta energy: -26.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -314.107257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.107257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.107257 (E_RNA)
where:
Base-Base interactions energy: -208.422
where: short stacking energy: -91.336
Base-Backbone interact. energy: -0.513
local terms energy: -105.172546
where:
bonds (distance) C4'-P energy: -18.468
bonds (distance) P-C4' energy: -22.185
flat angles C4'-P-C4' energy: -23.694
flat angles P-C4'-P energy: -11.539
tors. eta vs tors. theta energy: -29.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -322.509817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.509817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.509817 (E_RNA)
where:
Base-Base interactions energy: -216.659
where: short stacking energy: -92.420
Base-Backbone interact. energy: -0.105
local terms energy: -105.745381
where:
bonds (distance) C4'-P energy: -22.153
bonds (distance) P-C4' energy: -22.258
flat angles C4'-P-C4' energy: -21.384
flat angles P-C4'-P energy: -13.614
tors. eta vs tors. theta energy: -26.336
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: 3
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -256.472529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.472529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.472529 (E_RNA)
where:
Base-Base interactions energy: -174.827
where: short stacking energy: -60.810
Base-Backbone interact. energy: -0.280
local terms energy: -81.365338
where:
bonds (distance) C4'-P energy: -21.118
bonds (distance) P-C4' energy: -17.576
flat angles C4'-P-C4' energy: -18.462
flat angles P-C4'-P energy: -14.239
tors. eta vs tors. theta energy: -9.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -194.301962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.301962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.301962 (E_RNA)
where:
Base-Base interactions energy: -120.569
where: short stacking energy: -69.308
Base-Backbone interact. energy: 0.345
local terms energy: -74.078089
where:
bonds (distance) C4'-P energy: -8.743
bonds (distance) P-C4' energy: -21.200
flat angles C4'-P-C4' energy: -16.367
flat angles P-C4'-P energy: -12.964
tors. eta vs tors. theta energy: -14.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -195.286850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.286850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.286850 (E_RNA)
where:
Base-Base interactions energy: -109.896
where: short stacking energy: -57.232
Base-Backbone interact. energy: 0.573
local terms energy: -85.964535
where:
bonds (distance) C4'-P energy: -16.498
bonds (distance) P-C4' energy: -19.614
flat angles C4'-P-C4' energy: -23.073
flat angles P-C4'-P energy: -16.568
tors. eta vs tors. theta energy: -10.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -226.890438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.890438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.890438 (E_RNA)
where:
Base-Base interactions energy: -139.819
where: short stacking energy: -56.783
Base-Backbone interact. energy: -0.019
local terms energy: -87.053110
where:
bonds (distance) C4'-P energy: -17.610
bonds (distance) P-C4' energy: -16.419
flat angles C4'-P-C4' energy: -19.885
flat angles P-C4'-P energy: -12.819
tors. eta vs tors. theta energy: -20.319
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: 9
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -163.968166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.968166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.968166 (E_RNA)
where:
Base-Base interactions energy: -87.100
where: short stacking energy: -58.978
Base-Backbone interact. energy: 0.580
local terms energy: -77.448680
where:
bonds (distance) C4'-P energy: -15.959
bonds (distance) P-C4' energy: -20.579
flat angles C4'-P-C4' energy: -21.164
flat angles P-C4'-P energy: -11.213
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: 9, replica: 4
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -118.263334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.263334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.263334 (E_RNA)
where:
Base-Base interactions energy: -38.817
where: short stacking energy: -38.817
Base-Backbone interact. energy: -0.048
local terms energy: -79.399019
where:
bonds (distance) C4'-P energy: -17.429
bonds (distance) P-C4' energy: -19.751
flat angles C4'-P-C4' energy: -21.579
flat angles P-C4'-P energy: -13.115
tors. eta vs tors. theta energy: -7.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -104.419442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.419442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.419442 (E_RNA)
where:
Base-Base interactions energy: -39.203
where: short stacking energy: -39.027
Base-Backbone interact. energy: 0.444
local terms energy: -65.660635
where:
bonds (distance) C4'-P energy: -17.434
bonds (distance) P-C4' energy: -16.580
flat angles C4'-P-C4' energy: -10.406
flat angles P-C4'-P energy: -16.257
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: 8
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -308.981385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.981385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.981385 (E_RNA)
where:
Base-Base interactions energy: -217.188
where: short stacking energy: -83.364
Base-Backbone interact. energy: 1.613
local terms energy: -93.406715
where:
bonds (distance) C4'-P energy: -17.897
bonds (distance) P-C4' energy: -24.012
flat angles C4'-P-C4' energy: -17.323
flat angles P-C4'-P energy: -8.340
tors. eta vs tors. theta energy: -25.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -324.997975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.997975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.997975 (E_RNA)
where:
Base-Base interactions energy: -229.645
where: short stacking energy: -97.280
Base-Backbone interact. energy: -0.864
local terms energy: -94.488556
where:
bonds (distance) C4'-P energy: -16.229
bonds (distance) P-C4' energy: -21.097
flat angles C4'-P-C4' energy: -21.434
flat angles P-C4'-P energy: -12.402
tors. eta vs tors. theta energy: -23.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -308.029528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.029528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.029528 (E_RNA)
where:
Base-Base interactions energy: -206.903
where: short stacking energy: -91.732
Base-Backbone interact. energy: -0.339
local terms energy: -100.787260
where:
bonds (distance) C4'-P energy: -16.786
bonds (distance) P-C4' energy: -19.023
flat angles C4'-P-C4' energy: -20.245
flat angles P-C4'-P energy: -14.920
tors. eta vs tors. theta energy: -29.813
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: 3
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -264.606034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.606034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.606034 (E_RNA)
where:
Base-Base interactions energy: -185.406
where: short stacking energy: -63.565
Base-Backbone interact. energy: -0.317
local terms energy: -78.882821
where:
bonds (distance) C4'-P energy: -16.688
bonds (distance) P-C4' energy: -17.246
flat angles C4'-P-C4' energy: -17.190
flat angles P-C4'-P energy: -11.915
tors. eta vs tors. theta energy: -15.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -183.243042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.243042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.243042 (E_RNA)
where:
Base-Base interactions energy: -103.877
where: short stacking energy: -60.434
Base-Backbone interact. energy: -0.373
local terms energy: -78.992956
where:
bonds (distance) C4'-P energy: -17.321
bonds (distance) P-C4' energy: -22.616
flat angles C4'-P-C4' energy: -16.499
flat angles P-C4'-P energy: -10.684
tors. eta vs tors. theta energy: -11.873
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: 1
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -247.118495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.118495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.118495 (E_RNA)
where:
Base-Base interactions energy: -162.073
where: short stacking energy: -63.761
Base-Backbone interact. energy: -0.878
local terms energy: -84.167662
where:
bonds (distance) C4'-P energy: -21.983
bonds (distance) P-C4' energy: -18.228
flat angles C4'-P-C4' energy: -19.102
flat angles P-C4'-P energy: -14.717
tors. eta vs tors. theta energy: -10.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -216.742617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.742617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.742617 (E_RNA)
where:
Base-Base interactions energy: -143.024
where: short stacking energy: -61.258
Base-Backbone interact. energy: -0.193
local terms energy: -73.525964
where:
bonds (distance) C4'-P energy: -15.508
bonds (distance) P-C4' energy: -16.060
flat angles C4'-P-C4' energy: -15.593
flat angles P-C4'-P energy: -13.269
tors. eta vs tors. theta energy: -13.097
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: 9
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -125.133628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.133628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.133628 (E_RNA)
where:
Base-Base interactions energy: -60.324
where: short stacking energy: -36.358
Base-Backbone interact. energy: -0.699
local terms energy: -64.110497
where:
bonds (distance) C4'-P energy: -19.258
bonds (distance) P-C4' energy: -17.391
flat angles C4'-P-C4' energy: -14.375
flat angles P-C4'-P energy: -9.385
tors. eta vs tors. theta energy: -3.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -103.698414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.698414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.698414 (E_RNA)
where:
Base-Base interactions energy: -45.704
where: short stacking energy: -34.448
Base-Backbone interact. energy: -0.544
local terms energy: -57.450235
where:
bonds (distance) C4'-P energy: -22.279
bonds (distance) P-C4' energy: -11.327
flat angles C4'-P-C4' energy: -18.336
flat angles P-C4'-P energy: -8.667
tors. eta vs tors. theta energy: 3.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -97.761004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.761004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.761004 (E_RNA)
where:
Base-Base interactions energy: -30.057
where: short stacking energy: -22.334
Base-Backbone interact. energy: -0.193
local terms energy: -67.511710
where:
bonds (distance) C4'-P energy: -20.286
bonds (distance) P-C4' energy: -18.548
flat angles C4'-P-C4' energy: -17.803
flat angles P-C4'-P energy: -14.231
tors. eta vs tors. theta energy: 3.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -331.003470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.003470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.003470 (E_RNA)
where:
Base-Base interactions energy: -230.397
where: short stacking energy: -90.741
Base-Backbone interact. energy: -0.471
local terms energy: -100.135304
where:
bonds (distance) C4'-P energy: -20.574
bonds (distance) P-C4' energy: -23.747
flat angles C4'-P-C4' energy: -16.920
flat angles P-C4'-P energy: -14.474
tors. eta vs tors. theta energy: -24.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -307.396886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.396886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.396886 (E_RNA)
where:
Base-Base interactions energy: -206.463
where: short stacking energy: -89.832
Base-Backbone interact. energy: -1.091
local terms energy: -99.842396
where:
bonds (distance) C4'-P energy: -19.623
bonds (distance) P-C4' energy: -18.101
flat angles C4'-P-C4' energy: -20.959
flat angles P-C4'-P energy: -12.536
tors. eta vs tors. theta energy: -28.623
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: 3, replica: 6
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -307.506807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.506807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.506807 (E_RNA)
where:
Base-Base interactions energy: -204.485
where: short stacking energy: -91.662
Base-Backbone interact. energy: -0.260
local terms energy: -102.761617
where:
bonds (distance) C4'-P energy: -22.239
bonds (distance) P-C4' energy: -17.489
flat angles C4'-P-C4' energy: -18.543
flat angles P-C4'-P energy: -14.547
tors. eta vs tors. theta energy: -29.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -240.799418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.799418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.799418 (E_RNA)
where:
Base-Base interactions energy: -163.313
where: short stacking energy: -48.120
Base-Backbone interact. energy: -1.115
local terms energy: -76.371520
where:
bonds (distance) C4'-P energy: -18.806
bonds (distance) P-C4' energy: -18.732
flat angles C4'-P-C4' energy: -17.813
flat angles P-C4'-P energy: -14.492
tors. eta vs tors. theta energy: -6.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -252.676041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.676041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.676041 (E_RNA)
where:
Base-Base interactions energy: -168.831
where: short stacking energy: -72.052
Base-Backbone interact. energy: 0.447
local terms energy: -84.291679
where:
bonds (distance) C4'-P energy: -17.594
bonds (distance) P-C4' energy: -18.077
flat angles C4'-P-C4' energy: -21.284
flat angles P-C4'-P energy: -12.269
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: 6, replica: 10
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -192.191077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.191077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.191077 (E_RNA)
where:
Base-Base interactions energy: -117.154
where: short stacking energy: -70.978
Base-Backbone interact. energy: -0.157
local terms energy: -74.879939
where:
bonds (distance) C4'-P energy: -17.300
bonds (distance) P-C4' energy: -17.184
flat angles C4'-P-C4' energy: -17.649
flat angles P-C4'-P energy: -5.694
tors. eta vs tors. theta energy: -17.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -220.483609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.483609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.483609 (E_RNA)
where:
Base-Base interactions energy: -147.221
where: short stacking energy: -63.750
Base-Backbone interact. energy: 0.057
local terms energy: -73.320045
where:
bonds (distance) C4'-P energy: -11.541
bonds (distance) P-C4' energy: -16.917
flat angles C4'-P-C4' energy: -15.339
flat angles P-C4'-P energy: -10.663
tors. eta vs tors. theta energy: -18.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -122.515952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.515952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.515952 (E_RNA)
where:
Base-Base interactions energy: -61.042
where: short stacking energy: -36.463
Base-Backbone interact. energy: -0.506
local terms energy: -60.968156
where:
bonds (distance) C4'-P energy: -14.378
bonds (distance) P-C4' energy: -18.430
flat angles C4'-P-C4' energy: -20.872
flat angles P-C4'-P energy: -10.823
tors. eta vs tors. theta energy: 3.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -107.698676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.698676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.698676 (E_RNA)
where:
Base-Base interactions energy: -32.418
where: short stacking energy: -31.573
Base-Backbone interact. energy: 0.650
local terms energy: -75.930279
where:
bonds (distance) C4'-P energy: -20.956
bonds (distance) P-C4' energy: -19.152
flat angles C4'-P-C4' energy: -20.865
flat angles P-C4'-P energy: -11.423
tors. eta vs tors. theta energy: -3.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -101.675445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.675445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.675445 (E_RNA)
where:
Base-Base interactions energy: -31.883
where: short stacking energy: -27.785
Base-Backbone interact. energy: -0.050
local terms energy: -69.742382
where:
bonds (distance) C4'-P energy: -20.041
bonds (distance) P-C4' energy: -20.239
flat angles C4'-P-C4' energy: -14.062
flat angles P-C4'-P energy: -10.453
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: 1, replica: 7
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -329.149160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.149160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.149160 (E_RNA)
where:
Base-Base interactions energy: -237.430
where: short stacking energy: -93.785
Base-Backbone interact. energy: -0.109
local terms energy: -91.609548
where:
bonds (distance) C4'-P energy: -20.219
bonds (distance) P-C4' energy: -18.069
flat angles C4'-P-C4' energy: -22.653
flat angles P-C4'-P energy: -10.368
tors. eta vs tors. theta energy: -20.300
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: 6
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -295.759504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.759504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.759504 (E_RNA)
where:
Base-Base interactions energy: -195.798
where: short stacking energy: -81.421
Base-Backbone interact. energy: -0.008
local terms energy: -99.953517
where:
bonds (distance) C4'-P energy: -18.559
bonds (distance) P-C4' energy: -19.787
flat angles C4'-P-C4' energy: -20.869
flat angles P-C4'-P energy: -13.123
tors. eta vs tors. theta energy: -27.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -296.886663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.886663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.886663 (E_RNA)
where:
Base-Base interactions energy: -200.694
where: short stacking energy: -80.365
Base-Backbone interact. energy: -0.130
local terms energy: -96.062907
where:
bonds (distance) C4'-P energy: -18.071
bonds (distance) P-C4' energy: -22.567
flat angles C4'-P-C4' energy: -17.455
flat angles P-C4'-P energy: -12.723
tors. eta vs tors. theta energy: -25.246
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: 4, replica: 1
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -257.154496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.154496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.154496 (E_RNA)
where:
Base-Base interactions energy: -170.354
where: short stacking energy: -79.036
Base-Backbone interact. energy: -0.584
local terms energy: -86.216686
where:
bonds (distance) C4'-P energy: -15.445
bonds (distance) P-C4' energy: -22.344
flat angles C4'-P-C4' energy: -17.407
flat angles P-C4'-P energy: -12.471
tors. eta vs tors. theta energy: -18.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -228.328018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.328018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.328018 (E_RNA)
where:
Base-Base interactions energy: -167.021
where: short stacking energy: -45.274
Base-Backbone interact. energy: -0.369
local terms energy: -60.938499
where:
bonds (distance) C4'-P energy: -11.377
bonds (distance) P-C4' energy: -19.115
flat angles C4'-P-C4' energy: -17.909
flat angles P-C4'-P energy: -5.771
tors. eta vs tors. theta energy: -6.767
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: 2
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -266.806236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.806236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.806236 (E_RNA)
where:
Base-Base interactions energy: -176.073
where: short stacking energy: -80.673
Base-Backbone interact. energy: -0.416
local terms energy: -90.317475
where:
bonds (distance) C4'-P energy: -20.733
bonds (distance) P-C4' energy: -19.386
flat angles C4'-P-C4' energy: -21.669
flat angles P-C4'-P energy: -7.214
tors. eta vs tors. theta energy: -21.315
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: 10
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -176.181351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.181351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.181351 (E_RNA)
where:
Base-Base interactions energy: -97.916
where: short stacking energy: -55.112
Base-Backbone interact. energy: -0.420
local terms energy: -77.845442
where:
bonds (distance) C4'-P energy: -20.036
bonds (distance) P-C4' energy: -19.444
flat angles C4'-P-C4' energy: -15.455
flat angles P-C4'-P energy: -6.145
tors. eta vs tors. theta energy: -16.766
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: 4
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -117.965050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.965050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.965050 (E_RNA)
where:
Base-Base interactions energy: -52.760
where: short stacking energy: -54.977
Base-Backbone interact. energy: 0.134
local terms energy: -65.338974
where:
bonds (distance) C4'-P energy: -16.569
bonds (distance) P-C4' energy: -13.793
flat angles C4'-P-C4' energy: -19.036
flat angles P-C4'-P energy: -8.786
tors. eta vs tors. theta energy: -7.156
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: 9
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -105.771036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.771036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.771036 (E_RNA)
where:
Base-Base interactions energy: -45.527
where: short stacking energy: -28.449
Base-Backbone interact. energy: 0.439
local terms energy: -60.682937
where:
bonds (distance) C4'-P energy: -19.731
bonds (distance) P-C4' energy: -17.064
flat angles C4'-P-C4' energy: -14.530
flat angles P-C4'-P energy: -9.160
tors. eta vs tors. theta energy: -0.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -97.825258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.825258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.825258 (E_RNA)
where:
Base-Base interactions energy: -32.051
where: short stacking energy: -23.307
Base-Backbone interact. energy: -0.439
local terms energy: -65.335679
where:
bonds (distance) C4'-P energy: -18.443
bonds (distance) P-C4' energy: -21.587
flat angles C4'-P-C4' energy: -15.120
flat angles P-C4'-P energy: -12.658
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: 1, replica: 6
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -305.560828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.560828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.560828 (E_RNA)
where:
Base-Base interactions energy: -205.757
where: short stacking energy: -88.117
Base-Backbone interact. energy: -0.298
local terms energy: -99.505632
where:
bonds (distance) C4'-P energy: -19.370
bonds (distance) P-C4' energy: -18.557
flat angles C4'-P-C4' energy: -21.741
flat angles P-C4'-P energy: -10.828
tors. eta vs tors. theta energy: -29.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -312.776110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.776110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.776110 (E_RNA)
where:
Base-Base interactions energy: -227.970
where: short stacking energy: -93.200
Base-Backbone interact. energy: -0.045
local terms energy: -84.760755
where:
bonds (distance) C4'-P energy: -16.912
bonds (distance) P-C4' energy: -20.809
flat angles C4'-P-C4' energy: -15.630
flat angles P-C4'-P energy: -7.396
tors. eta vs tors. theta energy: -24.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -267.510015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.510015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.510015 (E_RNA)
where:
Base-Base interactions energy: -179.658
where: short stacking energy: -69.908
Base-Backbone interact. energy: -0.165
local terms energy: -87.686723
where:
bonds (distance) C4'-P energy: -14.336
bonds (distance) P-C4' energy: -21.806
flat angles C4'-P-C4' energy: -20.362
flat angles P-C4'-P energy: -11.107
tors. eta vs tors. theta energy: -20.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -298.324882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.324882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.324882 (E_RNA)
where:
Base-Base interactions energy: -204.749
where: short stacking energy: -79.052
Base-Backbone interact. energy: -0.598
local terms energy: -92.977498
where:
bonds (distance) C4'-P energy: -19.802
bonds (distance) P-C4' energy: -21.278
flat angles C4'-P-C4' energy: -17.733
flat angles P-C4'-P energy: -12.813
tors. eta vs tors. theta energy: -21.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -279.162258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.162258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.162258 (E_RNA)
where:
Base-Base interactions energy: -188.970
where: short stacking energy: -76.595
Base-Backbone interact. energy: -0.261
local terms energy: -89.931327
where:
bonds (distance) C4'-P energy: -16.441
bonds (distance) P-C4' energy: -18.030
flat angles C4'-P-C4' energy: -20.946
flat angles P-C4'-P energy: -9.690
tors. eta vs tors. theta energy: -24.824
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: 3
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -204.623098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.623098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.623098 (E_RNA)
where:
Base-Base interactions energy: -122.432
where: short stacking energy: -62.854
Base-Backbone interact. energy: -0.827
local terms energy: -81.364532
where:
bonds (distance) C4'-P energy: -13.542
bonds (distance) P-C4' energy: -22.533
flat angles C4'-P-C4' energy: -18.661
flat angles P-C4'-P energy: -8.047
tors. eta vs tors. theta energy: -18.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -179.964130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.964130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.964130 (E_RNA)
where:
Base-Base interactions energy: -107.212
where: short stacking energy: -58.589
Base-Backbone interact. energy: -0.409
local terms energy: -72.342542
where:
bonds (distance) C4'-P energy: -19.251
bonds (distance) P-C4' energy: -19.745
flat angles C4'-P-C4' energy: -14.887
flat angles P-C4'-P energy: -11.408
tors. eta vs tors. theta energy: -7.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -136.933333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.933333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.933333 (E_RNA)
where:
Base-Base interactions energy: -62.127
where: short stacking energy: -57.397
Base-Backbone interact. energy: -0.151
local terms energy: -74.654760
where:
bonds (distance) C4'-P energy: -14.475
bonds (distance) P-C4' energy: -22.691
flat angles C4'-P-C4' energy: -16.308
flat angles P-C4'-P energy: -10.111
tors. eta vs tors. theta energy: -11.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -127.181152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.181152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.181152 (E_RNA)
where:
Base-Base interactions energy: -66.910
where: short stacking energy: -30.097
Base-Backbone interact. energy: -0.101
local terms energy: -60.169606
where:
bonds (distance) C4'-P energy: -19.214
bonds (distance) P-C4' energy: -16.104
flat angles C4'-P-C4' energy: -18.161
flat angles P-C4'-P energy: -2.784
tors. eta vs tors. theta energy: -3.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -109.596555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.596555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.596555 (E_RNA)
where:
Base-Base interactions energy: -54.230
where: short stacking energy: -30.457
Base-Backbone interact. energy: -0.338
local terms energy: -55.029089
where:
bonds (distance) C4'-P energy: -17.707
bonds (distance) P-C4' energy: -18.931
flat angles C4'-P-C4' energy: -14.430
flat angles P-C4'-P energy: -5.816
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: 1, replica: 6
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -311.654859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.654859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.654859 (E_RNA)
where:
Base-Base interactions energy: -204.710
where: short stacking energy: -89.682
Base-Backbone interact. energy: -0.190
local terms energy: -106.754551
where:
bonds (distance) C4'-P energy: -18.712
bonds (distance) P-C4' energy: -23.166
flat angles C4'-P-C4' energy: -22.923
flat angles P-C4'-P energy: -12.517
tors. eta vs tors. theta energy: -29.436
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: 7
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -321.730516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.730516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.730516 (E_RNA)
where:
Base-Base interactions energy: -227.460
where: short stacking energy: -103.292
Base-Backbone interact. energy: -0.576
local terms energy: -93.695155
where:
bonds (distance) C4'-P energy: -20.668
bonds (distance) P-C4' energy: -17.644
flat angles C4'-P-C4' energy: -21.036
flat angles P-C4'-P energy: -6.358
tors. eta vs tors. theta energy: -27.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -258.684382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.684382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.684382 (E_RNA)
where:
Base-Base interactions energy: -176.351
where: short stacking energy: -61.744
Base-Backbone interact. energy: -0.067
local terms energy: -82.266488
where:
bonds (distance) C4'-P energy: -20.840
bonds (distance) P-C4' energy: -18.773
flat angles C4'-P-C4' energy: -21.944
flat angles P-C4'-P energy: -10.035
tors. eta vs tors. theta energy: -10.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -296.631108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.631108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.631108 (E_RNA)
where:
Base-Base interactions energy: -209.085
where: short stacking energy: -78.151
Base-Backbone interact. energy: -0.356
local terms energy: -87.190916
where:
bonds (distance) C4'-P energy: -21.859
bonds (distance) P-C4' energy: -13.108
flat angles C4'-P-C4' energy: -19.161
flat angles P-C4'-P energy: -8.749
tors. eta vs tors. theta energy: -24.315
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: 2
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -286.580325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.580325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.580325 (E_RNA)
where:
Base-Base interactions energy: -193.876
where: short stacking energy: -75.224
Base-Backbone interact. energy: -0.200
local terms energy: -92.504325
where:
bonds (distance) C4'-P energy: -17.393
bonds (distance) P-C4' energy: -17.878
flat angles C4'-P-C4' energy: -20.746
flat angles P-C4'-P energy: -14.169
tors. eta vs tors. theta energy: -22.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -181.968371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.968371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.968371 (E_RNA)
where:
Base-Base interactions energy: -99.053
where: short stacking energy: -59.941
Base-Backbone interact. energy: -0.373
local terms energy: -82.542678
where:
bonds (distance) C4'-P energy: -13.966
bonds (distance) P-C4' energy: -24.410
flat angles C4'-P-C4' energy: -19.004
flat angles P-C4'-P energy: -12.540
tors. eta vs tors. theta energy: -12.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -203.399541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.399541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.399541 (E_RNA)
where:
Base-Base interactions energy: -129.444
where: short stacking energy: -42.136
Base-Backbone interact. energy: 1.175
local terms energy: -75.130861
where:
bonds (distance) C4'-P energy: -15.226
bonds (distance) P-C4' energy: -22.209
flat angles C4'-P-C4' energy: -18.331
flat angles P-C4'-P energy: -16.609
tors. eta vs tors. theta energy: -2.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -161.102708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.102708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.102708 (E_RNA)
where:
Base-Base interactions energy: -93.897
where: short stacking energy: -43.573
Base-Backbone interact. energy: -0.662
local terms energy: -66.543617
where:
bonds (distance) C4'-P energy: -14.937
bonds (distance) P-C4' energy: -21.375
flat angles C4'-P-C4' energy: -17.448
flat angles P-C4'-P energy: -8.847
tors. eta vs tors. theta energy: -3.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -117.227135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.227135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.227135 (E_RNA)
where:
Base-Base interactions energy: -48.362
where: short stacking energy: -39.800
Base-Backbone interact. energy: -1.206
local terms energy: -67.658750
where:
bonds (distance) C4'-P energy: -19.735
bonds (distance) P-C4' energy: -19.165
flat angles C4'-P-C4' energy: -15.087
flat angles P-C4'-P energy: -9.071
tors. eta vs tors. theta energy: -4.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -142.413863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.413863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.413863 (E_RNA)
where:
Base-Base interactions energy: -88.291
where: short stacking energy: -44.900
Base-Backbone interact. energy: 0.746
local terms energy: -54.868491
where:
bonds (distance) C4'-P energy: -19.847
bonds (distance) P-C4' energy: -11.127
flat angles C4'-P-C4' energy: -6.523
flat angles P-C4'-P energy: -10.331
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: 1, replica: 7
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -323.356031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.356031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.356031 (E_RNA)
where:
Base-Base interactions energy: -222.036
where: short stacking energy: -93.616
Base-Backbone interact. energy: -0.245
local terms energy: -101.075268
where:
bonds (distance) C4'-P energy: -21.714
bonds (distance) P-C4' energy: -22.220
flat angles C4'-P-C4' energy: -22.182
flat angles P-C4'-P energy: -11.462
tors. eta vs tors. theta energy: -23.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -306.987988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.987988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.987988 (E_RNA)
where:
Base-Base interactions energy: -198.485
where: short stacking energy: -85.957
Base-Backbone interact. energy: -0.317
local terms energy: -108.186396
where:
bonds (distance) C4'-P energy: -17.658
bonds (distance) P-C4' energy: -22.663
flat angles C4'-P-C4' energy: -20.515
flat angles P-C4'-P energy: -16.035
tors. eta vs tors. theta energy: -31.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -301.640394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.640394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.640394 (E_RNA)
where:
Base-Base interactions energy: -206.223
where: short stacking energy: -76.401
Base-Backbone interact. energy: -0.017
local terms energy: -95.400759
where:
bonds (distance) C4'-P energy: -20.980
bonds (distance) P-C4' energy: -18.791
flat angles C4'-P-C4' energy: -19.277
flat angles P-C4'-P energy: -9.735
tors. eta vs tors. theta energy: -26.618
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: 4, replica: 1
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -270.504116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.504116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.504116 (E_RNA)
where:
Base-Base interactions energy: -178.772
where: short stacking energy: -78.160
Base-Backbone interact. energy: -0.471
local terms energy: -91.261781
where:
bonds (distance) C4'-P energy: -18.948
bonds (distance) P-C4' energy: -20.489
flat angles C4'-P-C4' energy: -18.625
flat angles P-C4'-P energy: -14.185
tors. eta vs tors. theta energy: -19.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -306.513838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.513838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.513838 (E_RNA)
where:
Base-Base interactions energy: -207.134
where: short stacking energy: -96.094
Base-Backbone interact. energy: -0.163
local terms energy: -99.217014
where:
bonds (distance) C4'-P energy: -16.849
bonds (distance) P-C4' energy: -20.362
flat angles C4'-P-C4' energy: -19.334
flat angles P-C4'-P energy: -13.704
tors. eta vs tors. theta energy: -28.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -202.050036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.050036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.050036 (E_RNA)
where:
Base-Base interactions energy: -117.611
where: short stacking energy: -65.376
Base-Backbone interact. energy: -0.147
local terms energy: -84.291608
where:
bonds (distance) C4'-P energy: -17.104
bonds (distance) P-C4' energy: -21.383
flat angles C4'-P-C4' energy: -19.906
flat angles P-C4'-P energy: -13.928
tors. eta vs tors. theta energy: -11.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -242.763464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.763464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.763464 (E_RNA)
where:
Base-Base interactions energy: -163.169
where: short stacking energy: -68.485
Base-Backbone interact. energy: -0.134
local terms energy: -79.460778
where:
bonds (distance) C4'-P energy: -15.112
bonds (distance) P-C4' energy: -16.309
flat angles C4'-P-C4' energy: -19.403
flat angles P-C4'-P energy: -10.460
tors. eta vs tors. theta energy: -18.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -116.457773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.457773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.457773 (E_RNA)
where:
Base-Base interactions energy: -41.006
where: short stacking energy: -26.627
Base-Backbone interact. energy: -1.065
local terms energy: -74.387256
where:
bonds (distance) C4'-P energy: -21.047
bonds (distance) P-C4' energy: -21.289
flat angles C4'-P-C4' energy: -19.050
flat angles P-C4'-P energy: -8.009
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: 9, replica: 5
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -167.932090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.932090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.932090 (E_RNA)
where:
Base-Base interactions energy: -96.457
where: short stacking energy: -50.001
Base-Backbone interact. energy: 0.898
local terms energy: -72.373072
where:
bonds (distance) C4'-P energy: -20.187
bonds (distance) P-C4' energy: -21.519
flat angles C4'-P-C4' energy: -16.946
flat angles P-C4'-P energy: -6.654
tors. eta vs tors. theta energy: -7.068
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: 4
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -118.154157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.154157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.154157 (E_RNA)
where:
Base-Base interactions energy: -45.998
where: short stacking energy: -39.892
Base-Backbone interact. energy: -0.447
local terms energy: -71.709249
where:
bonds (distance) C4'-P energy: -18.022
bonds (distance) P-C4' energy: -17.698
flat angles C4'-P-C4' energy: -17.201
flat angles P-C4'-P energy: -8.009
tors. eta vs tors. theta energy: -10.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -323.822079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.822079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.822079 (E_RNA)
where:
Base-Base interactions energy: -224.406
where: short stacking energy: -96.100
Base-Backbone interact. energy: -0.144
local terms energy: -99.271938
where:
bonds (distance) C4'-P energy: -20.907
bonds (distance) P-C4' energy: -21.044
flat angles C4'-P-C4' energy: -23.586
flat angles P-C4'-P energy: -8.053
tors. eta vs tors. theta energy: -25.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -314.680306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.680306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.680306 (E_RNA)
where:
Base-Base interactions energy: -212.642
where: short stacking energy: -92.207
Base-Backbone interact. energy: 0.620
local terms energy: -102.659218
where:
bonds (distance) C4'-P energy: -20.342
bonds (distance) P-C4' energy: -22.147
flat angles C4'-P-C4' energy: -19.469
flat angles P-C4'-P energy: -12.163
tors. eta vs tors. theta energy: -28.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -297.667004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.667004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.667004 (E_RNA)
where:
Base-Base interactions energy: -200.821
where: short stacking energy: -82.611
Base-Backbone interact. energy: -0.024
local terms energy: -96.822222
where:
bonds (distance) C4'-P energy: -23.900
bonds (distance) P-C4' energy: -18.741
flat angles C4'-P-C4' energy: -18.510
flat angles P-C4'-P energy: -10.689
tors. eta vs tors. theta energy: -24.982
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: 2
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -308.160974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.160974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.160974 (E_RNA)
where:
Base-Base interactions energy: -223.305
where: short stacking energy: -99.324
Base-Backbone interact. energy: -0.101
local terms energy: -84.755520
where:
bonds (distance) C4'-P energy: -16.055
bonds (distance) P-C4' energy: -14.375
flat angles C4'-P-C4' energy: -17.562
flat angles P-C4'-P energy: -9.481
tors. eta vs tors. theta energy: -27.282
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: 1
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -253.524754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.524754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.524754 (E_RNA)
where:
Base-Base interactions energy: -170.099
where: short stacking energy: -63.584
Base-Backbone interact. energy: -0.499
local terms energy: -82.927140
where:
bonds (distance) C4'-P energy: -16.821
bonds (distance) P-C4' energy: -22.871
flat angles C4'-P-C4' energy: -16.837
flat angles P-C4'-P energy: -10.453
tors. eta vs tors. theta energy: -15.946
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: 3
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -254.737453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.737453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.737453 (E_RNA)
where:
Base-Base interactions energy: -173.617
where: short stacking energy: -70.156
Base-Backbone interact. energy: -0.146
local terms energy: -80.974182
where:
bonds (distance) C4'-P energy: -14.756
bonds (distance) P-C4' energy: -14.220
flat angles C4'-P-C4' energy: -18.121
flat angles P-C4'-P energy: -15.755
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: 7, replica: 10
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -190.454644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.454644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.454644 (E_RNA)
where:
Base-Base interactions energy: -114.053
where: short stacking energy: -47.985
Base-Backbone interact. energy: -0.332
local terms energy: -76.069237
where:
bonds (distance) C4'-P energy: -13.568
bonds (distance) P-C4' energy: -21.305
flat angles C4'-P-C4' energy: -20.692
flat angles P-C4'-P energy: -6.718
tors. eta vs tors. theta energy: -13.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -171.051503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.051503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.051503 (E_RNA)
where:
Base-Base interactions energy: -98.394
where: short stacking energy: -56.147
Base-Backbone interact. energy: -0.111
local terms energy: -72.546686
where:
bonds (distance) C4'-P energy: -16.890
bonds (distance) P-C4' energy: -17.975
flat angles C4'-P-C4' energy: -14.933
flat angles P-C4'-P energy: -10.292
tors. eta vs tors. theta energy: -12.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -133.345138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.345138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.345138 (E_RNA)
where:
Base-Base interactions energy: -69.456
where: short stacking energy: -33.892
Base-Backbone interact. energy: -0.694
local terms energy: -63.195270
where:
bonds (distance) C4'-P energy: -17.847
bonds (distance) P-C4' energy: -18.965
flat angles C4'-P-C4' energy: -12.562
flat angles P-C4'-P energy: -10.949
tors. eta vs tors. theta energy: -2.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -119.893153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.893153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.893153 (E_RNA)
where:
Base-Base interactions energy: -55.279
where: short stacking energy: -31.290
Base-Backbone interact. energy: -0.644
local terms energy: -63.970085
where:
bonds (distance) C4'-P energy: -20.758
bonds (distance) P-C4' energy: -17.425
flat angles C4'-P-C4' energy: -12.570
flat angles P-C4'-P energy: -11.975
tors. eta vs tors. theta energy: -1.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -321.588375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.588375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.588375 (E_RNA)
where:
Base-Base interactions energy: -223.839
where: short stacking energy: -98.998
Base-Backbone interact. energy: -0.290
local terms energy: -97.459433
where:
bonds (distance) C4'-P energy: -23.766
bonds (distance) P-C4' energy: -22.444
flat angles C4'-P-C4' energy: -19.977
flat angles P-C4'-P energy: -8.013
tors. eta vs tors. theta energy: -23.259
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: 2, replica: 6
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -317.815398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.815398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.815398 (E_RNA)
where:
Base-Base interactions energy: -211.773
where: short stacking energy: -95.281
Base-Backbone interact. energy: -0.090
local terms energy: -105.952204
where:
bonds (distance) C4'-P energy: -19.793
bonds (distance) P-C4' energy: -16.798
flat angles C4'-P-C4' energy: -24.939
flat angles P-C4'-P energy: -12.059
tors. eta vs tors. theta energy: -32.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -291.214219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.214219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.214219 (E_RNA)
where:
Base-Base interactions energy: -197.058
where: short stacking energy: -81.017
Base-Backbone interact. energy: -0.425
local terms energy: -93.731460
where:
bonds (distance) C4'-P energy: -17.741
bonds (distance) P-C4' energy: -19.046
flat angles C4'-P-C4' energy: -20.249
flat angles P-C4'-P energy: -13.695
tors. eta vs tors. theta energy: -23.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -311.066101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.066101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.066101 (E_RNA)
where:
Base-Base interactions energy: -203.107
where: short stacking energy: -92.239
Base-Backbone interact. energy: -0.365
local terms energy: -107.594124
where:
bonds (distance) C4'-P energy: -23.420
bonds (distance) P-C4' energy: -20.353
flat angles C4'-P-C4' energy: -21.505
flat angles P-C4'-P energy: -15.639
tors. eta vs tors. theta energy: -26.677
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: 3
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -240.417257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.417257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.417257 (E_RNA)
where:
Base-Base interactions energy: -160.093
where: short stacking energy: -78.878
Base-Backbone interact. energy: 0.334
local terms energy: -80.658246
where:
bonds (distance) C4'-P energy: -14.362
bonds (distance) P-C4' energy: -20.113
flat angles C4'-P-C4' energy: -18.801
flat angles P-C4'-P energy: -9.861
tors. eta vs tors. theta energy: -17.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -244.764788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.764788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.764788 (E_RNA)
where:
Base-Base interactions energy: -164.077
where: short stacking energy: -62.726
Base-Backbone interact. energy: 1.335
local terms energy: -82.022915
where:
bonds (distance) C4'-P energy: -18.359
bonds (distance) P-C4' energy: -18.496
flat angles C4'-P-C4' energy: -12.711
flat angles P-C4'-P energy: -17.212
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: 7, replica: 5
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -184.289052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.289052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.289052 (E_RNA)
where:
Base-Base interactions energy: -100.065
where: short stacking energy: -67.810
Base-Backbone interact. energy: -0.021
local terms energy: -84.202627
where:
bonds (distance) C4'-P energy: -21.811
bonds (distance) P-C4' energy: -17.412
flat angles C4'-P-C4' energy: -20.240
flat angles P-C4'-P energy: -10.404
tors. eta vs tors. theta energy: -14.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -180.009298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.009298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.009298 (E_RNA)
where:
Base-Base interactions energy: -107.167
where: short stacking energy: -54.724
Base-Backbone interact. energy: -0.224
local terms energy: -72.618509
where:
bonds (distance) C4'-P energy: -22.811
bonds (distance) P-C4' energy: -14.554
flat angles C4'-P-C4' energy: -16.706
flat angles P-C4'-P energy: -3.839
tors. eta vs tors. theta energy: -14.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -121.486110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.486110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.486110 (E_RNA)
where:
Base-Base interactions energy: -46.325
where: short stacking energy: -40.524
Base-Backbone interact. energy: -0.973
local terms energy: -74.187269
where:
bonds (distance) C4'-P energy: -17.824
bonds (distance) P-C4' energy: -17.667
flat angles C4'-P-C4' energy: -20.198
flat angles P-C4'-P energy: -10.354
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: 10, replica: 9
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -103.366683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.366683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.366683 (E_RNA)
where:
Base-Base interactions energy: -46.123
where: short stacking energy: -30.541
Base-Backbone interact. energy: -0.999
local terms energy: -56.244381
where:
bonds (distance) C4'-P energy: -10.271
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -12.533
flat angles P-C4'-P energy: -10.829
tors. eta vs tors. theta energy: -6.224
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: 7
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -324.588045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.588045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.588045 (E_RNA)
where:
Base-Base interactions energy: -228.921
where: short stacking energy: -93.689
Base-Backbone interact. energy: 0.352
local terms energy: -96.018939
where:
bonds (distance) C4'-P energy: -20.937
bonds (distance) P-C4' energy: -19.375
flat angles C4'-P-C4' energy: -23.746
flat angles P-C4'-P energy: -16.301
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: 2, replica: 6
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -318.945614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.945614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.945614 (E_RNA)
where:
Base-Base interactions energy: -212.144
where: short stacking energy: -103.005
Base-Backbone interact. energy: -0.047
local terms energy: -106.754360
where:
bonds (distance) C4'-P energy: -21.292
bonds (distance) P-C4' energy: -20.923
flat angles C4'-P-C4' energy: -23.759
flat angles P-C4'-P energy: -9.221
tors. eta vs tors. theta energy: -31.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -299.317345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.317345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.317345 (E_RNA)
where:
Base-Base interactions energy: -207.783
where: short stacking energy: -83.519
Base-Backbone interact. energy: 0.487
local terms energy: -92.021783
where:
bonds (distance) C4'-P energy: -20.104
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -19.653
flat angles P-C4'-P energy: -10.608
tors. eta vs tors. theta energy: -25.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -313.076258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.076258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.076258 (E_RNA)
where:
Base-Base interactions energy: -223.155
where: short stacking energy: -99.785
Base-Backbone interact. energy: -0.254
local terms energy: -89.667372
where:
bonds (distance) C4'-P energy: -15.561
bonds (distance) P-C4' energy: -16.106
flat angles C4'-P-C4' energy: -19.633
flat angles P-C4'-P energy: -12.030
tors. eta vs tors. theta energy: -26.337
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: 3
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -266.123088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.123088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.123088 (E_RNA)
where:
Base-Base interactions energy: -166.958
where: short stacking energy: -77.414
Base-Backbone interact. energy: -0.032
local terms energy: -99.132486
where:
bonds (distance) C4'-P energy: -20.604
bonds (distance) P-C4' energy: -22.514
flat angles C4'-P-C4' energy: -22.315
flat angles P-C4'-P energy: -9.877
tors. eta vs tors. theta energy: -23.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -170.579117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.579117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.579117 (E_RNA)
where:
Base-Base interactions energy: -100.656
where: short stacking energy: -39.329
Base-Backbone interact. energy: -0.411
local terms energy: -69.511754
where:
bonds (distance) C4'-P energy: -18.586
bonds (distance) P-C4' energy: -17.576
flat angles C4'-P-C4' energy: -12.044
flat angles P-C4'-P energy: -13.399
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: 7, replica: 5
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -180.451805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.451805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.451805 (E_RNA)
where:
Base-Base interactions energy: -101.901
where: short stacking energy: -56.828
Base-Backbone interact. energy: -0.126
local terms energy: -78.424587
where:
bonds (distance) C4'-P energy: -14.635
bonds (distance) P-C4' energy: -22.728
flat angles C4'-P-C4' energy: -17.147
flat angles P-C4'-P energy: -12.489
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: 8, replica: 10
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -176.673976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.673976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.673976 (E_RNA)
where:
Base-Base interactions energy: -109.650
where: short stacking energy: -52.908
Base-Backbone interact. energy: -0.758
local terms energy: -66.265632
where:
bonds (distance) C4'-P energy: -14.838
bonds (distance) P-C4' energy: -18.819
flat angles C4'-P-C4' energy: -12.941
flat angles P-C4'-P energy: -12.387
tors. eta vs tors. theta energy: -7.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -112.914359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.914359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.914359 (E_RNA)
where:
Base-Base interactions energy: -62.995
where: short stacking energy: -41.239
Base-Backbone interact. energy: -0.244
local terms energy: -49.674700
where:
bonds (distance) C4'-P energy: -19.052
bonds (distance) P-C4' energy: -12.622
flat angles C4'-P-C4' energy: -10.420
flat angles P-C4'-P energy: -6.822
tors. eta vs tors. theta energy: -0.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -104.778607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.778607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.778607 (E_RNA)
where:
Base-Base interactions energy: -43.769
where: short stacking energy: -29.839
Base-Backbone interact. energy: -0.394
local terms energy: -60.616081
where:
bonds (distance) C4'-P energy: -14.371
bonds (distance) P-C4' energy: -16.785
flat angles C4'-P-C4' energy: -21.198
flat angles P-C4'-P energy: -4.476
tors. eta vs tors. theta energy: -3.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -318.990401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.990401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.990401 (E_RNA)
where:
Base-Base interactions energy: -224.749
where: short stacking energy: -92.701
Base-Backbone interact. energy: -0.176
local terms energy: -94.064692
where:
bonds (distance) C4'-P energy: -20.202
bonds (distance) P-C4' energy: -22.126
flat angles C4'-P-C4' energy: -22.850
flat angles P-C4'-P energy: -8.355
tors. eta vs tors. theta energy: -20.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -308.395140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.395140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.395140 (E_RNA)
where:
Base-Base interactions energy: -202.259
where: short stacking energy: -91.265
Base-Backbone interact. energy: -0.000
local terms energy: -106.135894
where:
bonds (distance) C4'-P energy: -13.336
bonds (distance) P-C4' energy: -22.209
flat angles C4'-P-C4' energy: -21.829
flat angles P-C4'-P energy: -17.369
tors. eta vs tors. theta energy: -31.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -328.200378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.200378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.200378 (E_RNA)
where:
Base-Base interactions energy: -220.920
where: short stacking energy: -97.972
Base-Backbone interact. energy: -0.099
local terms energy: -107.181546
where:
bonds (distance) C4'-P energy: -22.572
bonds (distance) P-C4' energy: -18.662
flat angles C4'-P-C4' energy: -25.732
flat angles P-C4'-P energy: -13.493
tors. eta vs tors. theta energy: -26.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -294.474519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.474519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.474519 (E_RNA)
where:
Base-Base interactions energy: -201.550
where: short stacking energy: -79.962
Base-Backbone interact. energy: -1.364
local terms energy: -91.560603
where:
bonds (distance) C4'-P energy: -18.663
bonds (distance) P-C4' energy: -21.942
flat angles C4'-P-C4' energy: -17.701
flat angles P-C4'-P energy: -10.483
tors. eta vs tors. theta energy: -22.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -209.452172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.452172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.452172 (E_RNA)
where:
Base-Base interactions energy: -130.065
where: short stacking energy: -44.914
Base-Backbone interact. energy: -1.507
local terms energy: -77.879502
where:
bonds (distance) C4'-P energy: -18.877
bonds (distance) P-C4' energy: -22.023
flat angles C4'-P-C4' energy: -18.572
flat angles P-C4'-P energy: -11.171
tors. eta vs tors. theta energy: -7.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -269.814495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.814495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.814495 (E_RNA)
where:
Base-Base interactions energy: -180.066
where: short stacking energy: -76.781
Base-Backbone interact. energy: 2.617
local terms energy: -92.365396
where:
bonds (distance) C4'-P energy: -18.287
bonds (distance) P-C4' energy: -17.166
flat angles C4'-P-C4' energy: -24.314
flat angles P-C4'-P energy: -11.966
tors. eta vs tors. theta energy: -20.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -193.944819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.944819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.944819 (E_RNA)
where:
Base-Base interactions energy: -120.147
where: short stacking energy: -56.008
Base-Backbone interact. energy: -0.068
local terms energy: -73.729509
where:
bonds (distance) C4'-P energy: -15.604
bonds (distance) P-C4' energy: -14.135
flat angles C4'-P-C4' energy: -17.862
flat angles P-C4'-P energy: -13.702
tors. eta vs tors. theta energy: -12.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -170.425779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.425779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.425779 (E_RNA)
where:
Base-Base interactions energy: -94.578
where: short stacking energy: -42.610
Base-Backbone interact. energy: -0.097
local terms energy: -75.749877
where:
bonds (distance) C4'-P energy: -20.475
bonds (distance) P-C4' energy: -17.981
flat angles C4'-P-C4' energy: -17.761
flat angles P-C4'-P energy: -11.898
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: 4
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -119.102062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.102062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.102062 (E_RNA)
where:
Base-Base interactions energy: -45.667
where: short stacking energy: -37.806
Base-Backbone interact. energy: -1.185
local terms energy: -72.249822
where:
bonds (distance) C4'-P energy: -16.747
bonds (distance) P-C4' energy: -18.068
flat angles C4'-P-C4' energy: -17.310
flat angles P-C4'-P energy: -13.175
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: 10, replica: 9
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -103.266652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.266652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.266652 (E_RNA)
where:
Base-Base interactions energy: -35.731
where: short stacking energy: -30.178
Base-Backbone interact. energy: 0.075
local terms energy: -67.610248
where:
bonds (distance) C4'-P energy: -18.572
bonds (distance) P-C4' energy: -14.442
flat angles C4'-P-C4' energy: -16.556
flat angles P-C4'-P energy: -15.879
tors. eta vs tors. theta energy: -2.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -321.735074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.735074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.735074 (E_RNA)
where:
Base-Base interactions energy: -222.589
where: short stacking energy: -89.267
Base-Backbone interact. energy: -0.153
local terms energy: -98.993141
where:
bonds (distance) C4'-P energy: -21.072
bonds (distance) P-C4' energy: -19.669
flat angles C4'-P-C4' energy: -22.425
flat angles P-C4'-P energy: -12.594
tors. eta vs tors. theta energy: -23.232
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: 2
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -326.300181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.300181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.300181 (E_RNA)
where:
Base-Base interactions energy: -217.997
where: short stacking energy: -97.462
Base-Backbone interact. energy: -0.250
local terms energy: -108.052853
where:
bonds (distance) C4'-P energy: -18.985
bonds (distance) P-C4' energy: -21.495
flat angles C4'-P-C4' energy: -22.179
flat angles P-C4'-P energy: -16.094
tors. eta vs tors. theta energy: -29.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -312.232964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.232964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.232964 (E_RNA)
where:
Base-Base interactions energy: -209.754
where: short stacking energy: -96.493
Base-Backbone interact. energy: 3.210
local terms energy: -105.689114
where:
bonds (distance) C4'-P energy: -17.152
bonds (distance) P-C4' energy: -19.457
flat angles C4'-P-C4' energy: -23.988
flat angles P-C4'-P energy: -16.394
tors. eta vs tors. theta energy: -28.698
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: 8
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -286.104227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.104227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.104227 (E_RNA)
where:
Base-Base interactions energy: -191.286
where: short stacking energy: -75.894
Base-Backbone interact. energy: -0.079
local terms energy: -94.739553
where:
bonds (distance) C4'-P energy: -18.572
bonds (distance) P-C4' energy: -20.284
flat angles C4'-P-C4' energy: -14.738
flat angles P-C4'-P energy: -15.318
tors. eta vs tors. theta energy: -25.827
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: 5, replica: 1
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -239.999390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.999390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.999390 (E_RNA)
where:
Base-Base interactions energy: -146.875
where: short stacking energy: -81.396
Base-Backbone interact. energy: -0.005
local terms energy: -93.118755
where:
bonds (distance) C4'-P energy: -17.352
bonds (distance) P-C4' energy: -22.616
flat angles C4'-P-C4' energy: -18.966
flat angles P-C4'-P energy: -13.811
tors. eta vs tors. theta energy: -20.373
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: 3
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -256.177054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.177054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.177054 (E_RNA)
where:
Base-Base interactions energy: -171.482
where: short stacking energy: -80.637
Base-Backbone interact. energy: 2.293
local terms energy: -86.988131
where:
bonds (distance) C4'-P energy: -17.835
bonds (distance) P-C4' energy: -18.625
flat angles C4'-P-C4' energy: -19.934
flat angles P-C4'-P energy: -7.345
tors. eta vs tors. theta energy: -23.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -195.471786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.471786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.471786 (E_RNA)
where:
Base-Base interactions energy: -117.027
where: short stacking energy: -52.047
Base-Backbone interact. energy: -0.064
local terms energy: -78.380656
where:
bonds (distance) C4'-P energy: -20.633
bonds (distance) P-C4' energy: -14.379
flat angles C4'-P-C4' energy: -20.346
flat angles P-C4'-P energy: -11.514
tors. eta vs tors. theta energy: -11.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -174.267294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.267294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.267294 (E_RNA)
where:
Base-Base interactions energy: -116.247
where: short stacking energy: -43.436
Base-Backbone interact. energy: -0.256
local terms energy: -57.764730
where:
bonds (distance) C4'-P energy: -16.552
bonds (distance) P-C4' energy: -15.785
flat angles C4'-P-C4' energy: -12.980
flat angles P-C4'-P energy: -6.626
tors. eta vs tors. theta energy: -5.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -105.040357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.040357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.040357 (E_RNA)
where:
Base-Base interactions energy: -34.750
where: short stacking energy: -31.440
Base-Backbone interact. energy: 0.870
local terms energy: -71.160663
where:
bonds (distance) C4'-P energy: -17.447
bonds (distance) P-C4' energy: -19.746
flat angles C4'-P-C4' energy: -18.511
flat angles P-C4'-P energy: -14.327
tors. eta vs tors. theta energy: -1.130
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: 10, replica: 9
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -112.194360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.194360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.194360 (E_RNA)
where:
Base-Base interactions energy: -41.477
where: short stacking energy: -42.269
Base-Backbone interact. energy: -0.279
local terms energy: -70.437637
where:
bonds (distance) C4'-P energy: -15.380
bonds (distance) P-C4' energy: -16.655
flat angles C4'-P-C4' energy: -18.762
flat angles P-C4'-P energy: -9.372
tors. eta vs tors. theta energy: -10.268
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: 2
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -337.412628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.412628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.412628 (E_RNA)
where:
Base-Base interactions energy: -226.062
where: short stacking energy: -96.540
Base-Backbone interact. energy: 0.120
local terms energy: -111.471177
where:
bonds (distance) C4'-P energy: -21.875
bonds (distance) P-C4' energy: -22.226
flat angles C4'-P-C4' energy: -22.376
flat angles P-C4'-P energy: -16.802
tors. eta vs tors. theta energy: -28.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -315.690458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.690458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.690458 (E_RNA)
where:
Base-Base interactions energy: -219.086
where: short stacking energy: -90.922
Base-Backbone interact. energy: -0.116
local terms energy: -96.488388
where:
bonds (distance) C4'-P energy: -18.464
bonds (distance) P-C4' energy: -20.982
flat angles C4'-P-C4' energy: -15.510
flat angles P-C4'-P energy: -13.970
tors. eta vs tors. theta energy: -27.562
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: 8
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -296.171534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.171534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.171534 (E_RNA)
where:
Base-Base interactions energy: -201.761
where: short stacking energy: -85.057
Base-Backbone interact. energy: -0.022
local terms energy: -94.388654
where:
bonds (distance) C4'-P energy: -14.363
bonds (distance) P-C4' energy: -22.157
flat angles C4'-P-C4' energy: -17.893
flat angles P-C4'-P energy: -11.783
tors. eta vs tors. theta energy: -28.193
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: 6
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -296.648314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.648314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.648314 (E_RNA)
where:
Base-Base interactions energy: -194.799
where: short stacking energy: -97.117
Base-Backbone interact. energy: -0.043
local terms energy: -101.806998
where:
bonds (distance) C4'-P energy: -20.198
bonds (distance) P-C4' energy: -20.031
flat angles C4'-P-C4' energy: -20.857
flat angles P-C4'-P energy: -12.545
tors. eta vs tors. theta energy: -28.175
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: 1
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -250.216110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.216110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.216110 (E_RNA)
where:
Base-Base interactions energy: -164.706
where: short stacking energy: -81.423
Base-Backbone interact. energy: 0.388
local terms energy: -85.898373
where:
bonds (distance) C4'-P energy: -18.447
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -16.830
flat angles P-C4'-P energy: -10.263
tors. eta vs tors. theta energy: -25.706
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: 3
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -233.936357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.936357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.936357 (E_RNA)
where:
Base-Base interactions energy: -154.763
where: short stacking energy: -60.941
Base-Backbone interact. energy: -0.209
local terms energy: -78.965169
where:
bonds (distance) C4'-P energy: -19.085
bonds (distance) P-C4' energy: -16.728
flat angles C4'-P-C4' energy: -19.902
flat angles P-C4'-P energy: -6.567
tors. eta vs tors. theta energy: -16.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -200.988657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.988657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.988657 (E_RNA)
where:
Base-Base interactions energy: -126.148
where: short stacking energy: -56.945
Base-Backbone interact. energy: -0.272
local terms energy: -74.569351
where:
bonds (distance) C4'-P energy: -16.833
bonds (distance) P-C4' energy: -20.431
flat angles C4'-P-C4' energy: -15.637
flat angles P-C4'-P energy: -10.947
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: 8, replica: 10
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -180.551778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.551778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.551778 (E_RNA)
where:
Base-Base interactions energy: -113.675
where: short stacking energy: -54.435
Base-Backbone interact. energy: -0.399
local terms energy: -66.477678
where:
bonds (distance) C4'-P energy: -16.647
bonds (distance) P-C4' energy: -19.812
flat angles C4'-P-C4' energy: -13.531
flat angles P-C4'-P energy: -3.904
tors. eta vs tors. theta energy: -12.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -105.451300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.451300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.451300 (E_RNA)
where:
Base-Base interactions energy: -46.415
where: short stacking energy: -45.820
Base-Backbone interact. energy: 1.903
local terms energy: -60.939741
where:
bonds (distance) C4'-P energy: -15.813
bonds (distance) P-C4' energy: -15.974
flat angles C4'-P-C4' energy: -17.402
flat angles P-C4'-P energy: -9.254
tors. eta vs tors. theta energy: -2.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -98.287545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.287545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.287545 (E_RNA)
where:
Base-Base interactions energy: -32.177
where: short stacking energy: -29.059
Base-Backbone interact. energy: -0.015
local terms energy: -66.095176
where:
bonds (distance) C4'-P energy: -22.053
bonds (distance) P-C4' energy: -19.552
flat angles C4'-P-C4' energy: -13.694
flat angles P-C4'-P energy: -8.224
tors. eta vs tors. theta energy: -2.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -337.583004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.583004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.583004 (E_RNA)
where:
Base-Base interactions energy: -226.382
where: short stacking energy: -99.112
Base-Backbone interact. energy: 0.103
local terms energy: -111.304124
where:
bonds (distance) C4'-P energy: -20.766
bonds (distance) P-C4' energy: -22.834
flat angles C4'-P-C4' energy: -22.438
flat angles P-C4'-P energy: -16.468
tors. eta vs tors. theta energy: -28.798
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: 47
Temperature: 0.950000
Total energy: -330.198497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.198497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.198497 (E_RNA)
where:
Base-Base interactions energy: -232.204
where: short stacking energy: -97.100
Base-Backbone interact. energy: -1.090
local terms energy: -96.904916
where:
bonds (distance) C4'-P energy: -14.949
bonds (distance) P-C4' energy: -23.709
flat angles C4'-P-C4' energy: -22.627
flat angles P-C4'-P energy: -11.124
tors. eta vs tors. theta energy: -24.496
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: 8
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -294.650575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.650575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.650575 (E_RNA)
where:
Base-Base interactions energy: -197.251
where: short stacking energy: -91.714
Base-Backbone interact. energy: 0.881
local terms energy: -98.280171
where:
bonds (distance) C4'-P energy: -18.528
bonds (distance) P-C4' energy: -23.364
flat angles C4'-P-C4' energy: -21.528
flat angles P-C4'-P energy: -7.525
tors. eta vs tors. theta energy: -27.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -301.523790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.523790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.523790 (E_RNA)
where:
Base-Base interactions energy: -202.457
where: short stacking energy: -91.817
Base-Backbone interact. energy: -0.006
local terms energy: -99.060535
where:
bonds (distance) C4'-P energy: -20.513
bonds (distance) P-C4' energy: -18.208
flat angles C4'-P-C4' energy: -22.293
flat angles P-C4'-P energy: -12.781
tors. eta vs tors. theta energy: -25.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -216.402325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.402325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.402325 (E_RNA)
where:
Base-Base interactions energy: -128.449
where: short stacking energy: -74.788
Base-Backbone interact. energy: -0.419
local terms energy: -87.534358
where:
bonds (distance) C4'-P energy: -21.677
bonds (distance) P-C4' energy: -19.297
flat angles C4'-P-C4' energy: -20.729
flat angles P-C4'-P energy: -6.330
tors. eta vs tors. theta energy: -19.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -239.820714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.820714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.820714 (E_RNA)
where:
Base-Base interactions energy: -157.537
where: short stacking energy: -75.368
Base-Backbone interact. energy: -0.214
local terms energy: -82.069615
where:
bonds (distance) C4'-P energy: -18.017
bonds (distance) P-C4' energy: -18.983
flat angles C4'-P-C4' energy: -19.711
flat angles P-C4'-P energy: -10.297
tors. eta vs tors. theta energy: -15.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -198.051179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.051179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.051179 (E_RNA)
where:
Base-Base interactions energy: -117.319
where: short stacking energy: -62.636
Base-Backbone interact. energy: -0.027
local terms energy: -80.704817
where:
bonds (distance) C4'-P energy: -20.242
bonds (distance) P-C4' energy: -13.367
flat angles C4'-P-C4' energy: -20.082
flat angles P-C4'-P energy: -9.533
tors. eta vs tors. theta energy: -17.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -151.178427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.178427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.178427 (E_RNA)
where:
Base-Base interactions energy: -71.084
where: short stacking energy: -51.747
Base-Backbone interact. energy: -0.211
local terms energy: -79.883476
where:
bonds (distance) C4'-P energy: -18.115
bonds (distance) P-C4' energy: -15.820
flat angles C4'-P-C4' energy: -23.656
flat angles P-C4'-P energy: -13.948
tors. eta vs tors. theta energy: -8.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -153.169200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.169200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.169200 (E_RNA)
where:
Base-Base interactions energy: -89.425
where: short stacking energy: -45.365
Base-Backbone interact. energy: 0.292
local terms energy: -64.036394
where:
bonds (distance) C4'-P energy: -19.064
bonds (distance) P-C4' energy: -13.070
flat angles C4'-P-C4' energy: -15.640
flat angles P-C4'-P energy: -8.575
tors. eta vs tors. theta energy: -7.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -100.834523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.834523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.834523 (E_RNA)
where:
Base-Base interactions energy: -38.855
where: short stacking energy: -24.520
Base-Backbone interact. energy: -0.935
local terms energy: -61.044533
where:
bonds (distance) C4'-P energy: -16.536
bonds (distance) P-C4' energy: -18.904
flat angles C4'-P-C4' energy: -18.370
flat angles P-C4'-P energy: -7.863
tors. eta vs tors. theta energy: 0.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -334.899864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.899864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.899864 (E_RNA)
where:
Base-Base interactions energy: -230.065
where: short stacking energy: -100.504
Base-Backbone interact. energy: -0.063
local terms energy: -104.771727
where:
bonds (distance) C4'-P energy: -22.107
bonds (distance) P-C4' energy: -18.561
flat angles C4'-P-C4' energy: -22.731
flat angles P-C4'-P energy: -15.429
tors. eta vs tors. theta energy: -25.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -326.705052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.705052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.705052 (E_RNA)
where:
Base-Base interactions energy: -222.552
where: short stacking energy: -94.564
Base-Backbone interact. energy: -0.058
local terms energy: -104.095179
where:
bonds (distance) C4'-P energy: -20.576
bonds (distance) P-C4' energy: -21.374
flat angles C4'-P-C4' energy: -18.348
flat angles P-C4'-P energy: -15.918
tors. eta vs tors. theta energy: -27.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -310.600344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.600344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.600344 (E_RNA)
where:
Base-Base interactions energy: -204.557
where: short stacking energy: -91.545
Base-Backbone interact. energy: -0.094
local terms energy: -105.949110
where:
bonds (distance) C4'-P energy: -19.177
bonds (distance) P-C4' energy: -18.662
flat angles C4'-P-C4' energy: -24.744
flat angles P-C4'-P energy: -12.394
tors. eta vs tors. theta energy: -30.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -283.029004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.029004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.029004 (E_RNA)
where:
Base-Base interactions energy: -195.391
where: short stacking energy: -75.618
Base-Backbone interact. energy: -0.279
local terms energy: -87.358722
where:
bonds (distance) C4'-P energy: -21.400
bonds (distance) P-C4' energy: -20.816
flat angles C4'-P-C4' energy: -14.340
flat angles P-C4'-P energy: -11.640
tors. eta vs tors. theta energy: -19.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -281.632148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.632148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.632148 (E_RNA)
where:
Base-Base interactions energy: -188.792
where: short stacking energy: -80.378
Base-Backbone interact. energy: 0.436
local terms energy: -93.275985
where:
bonds (distance) C4'-P energy: -21.937
bonds (distance) P-C4' energy: -18.820
flat angles C4'-P-C4' energy: -17.290
flat angles P-C4'-P energy: -13.253
tors. eta vs tors. theta energy: -21.975
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: 1
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -204.429610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.429610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.429610 (E_RNA)
where:
Base-Base interactions energy: -117.770
where: short stacking energy: -70.874
Base-Backbone interact. energy: 0.725
local terms energy: -87.384769
where:
bonds (distance) C4'-P energy: -17.639
bonds (distance) P-C4' energy: -19.109
flat angles C4'-P-C4' energy: -21.060
flat angles P-C4'-P energy: -12.663
tors. eta vs tors. theta energy: -16.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -127.421765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.421765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.421765 (E_RNA)
where:
Base-Base interactions energy: -56.831
where: short stacking energy: -56.831
Base-Backbone interact. energy: -0.077
local terms energy: -70.513026
where:
bonds (distance) C4'-P energy: -14.725
bonds (distance) P-C4' energy: -17.110
flat angles C4'-P-C4' energy: -12.881
flat angles P-C4'-P energy: -15.979
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: 8, replica: 5
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -160.302281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.302281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.302281 (E_RNA)
where:
Base-Base interactions energy: -90.111
where: short stacking energy: -49.820
Base-Backbone interact. energy: 0.764
local terms energy: -70.954758
where:
bonds (distance) C4'-P energy: -17.822
bonds (distance) P-C4' energy: -13.629
flat angles C4'-P-C4' energy: -17.561
flat angles P-C4'-P energy: -9.192
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: 9, replica: 10
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -128.957872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.957872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.957872 (E_RNA)
where:
Base-Base interactions energy: -67.096
where: short stacking energy: -37.603
Base-Backbone interact. energy: 0.143
local terms energy: -62.005220
where:
bonds (distance) C4'-P energy: -10.871
bonds (distance) P-C4' energy: -18.546
flat angles C4'-P-C4' energy: -17.298
flat angles P-C4'-P energy: -9.379
tors. eta vs tors. theta energy: -5.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -109.357729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.357729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.357729 (E_RNA)
where:
Base-Base interactions energy: -46.344
where: short stacking energy: -44.109
Base-Backbone interact. energy: -0.125
local terms energy: -62.888317
where:
bonds (distance) C4'-P energy: -12.900
bonds (distance) P-C4' energy: -15.426
flat angles C4'-P-C4' energy: -14.689
flat angles P-C4'-P energy: -15.217
tors. eta vs tors. theta energy: -4.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -337.817162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.817162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.817162 (E_RNA)
where:
Base-Base interactions energy: -233.323
where: short stacking energy: -92.975
Base-Backbone interact. energy: -0.500
local terms energy: -103.994659
where:
bonds (distance) C4'-P energy: -21.580
bonds (distance) P-C4' energy: -22.063
flat angles C4'-P-C4' energy: -21.185
flat angles P-C4'-P energy: -13.680
tors. eta vs tors. theta energy: -25.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -321.468441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.468441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.468441 (E_RNA)
where:
Base-Base interactions energy: -220.584
where: short stacking energy: -78.974
Base-Backbone interact. energy: -1.323
local terms energy: -99.560611
where:
bonds (distance) C4'-P energy: -16.849
bonds (distance) P-C4' energy: -22.126
flat angles C4'-P-C4' energy: -22.949
flat angles P-C4'-P energy: -15.504
tors. eta vs tors. theta energy: -22.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -302.998143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.998143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.998143 (E_RNA)
where:
Base-Base interactions energy: -190.055
where: short stacking energy: -80.461
Base-Backbone interact. energy: -0.011
local terms energy: -112.932465
where:
bonds (distance) C4'-P energy: -23.432
bonds (distance) P-C4' energy: -21.213
flat angles C4'-P-C4' energy: -22.317
flat angles P-C4'-P energy: -16.632
tors. eta vs tors. theta energy: -29.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -279.204362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.204362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.204362 (E_RNA)
where:
Base-Base interactions energy: -198.538
where: short stacking energy: -80.721
Base-Backbone interact. energy: -0.215
local terms energy: -80.451435
where:
bonds (distance) C4'-P energy: -18.787
bonds (distance) P-C4' energy: -15.925
flat angles C4'-P-C4' energy: -17.100
flat angles P-C4'-P energy: -6.397
tors. eta vs tors. theta energy: -22.243
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: 3
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -282.008207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.008207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.008207 (E_RNA)
where:
Base-Base interactions energy: -187.701
where: short stacking energy: -86.117
Base-Backbone interact. energy: -0.002
local terms energy: -94.305785
where:
bonds (distance) C4'-P energy: -19.879
bonds (distance) P-C4' energy: -19.528
flat angles C4'-P-C4' energy: -20.141
flat angles P-C4'-P energy: -9.388
tors. eta vs tors. theta energy: -25.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -217.544929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.544929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.544929 (E_RNA)
where:
Base-Base interactions energy: -138.112
where: short stacking energy: -73.902
Base-Backbone interact. energy: -0.025
local terms energy: -79.407796
where:
bonds (distance) C4'-P energy: -21.122
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -15.226
flat angles P-C4'-P energy: -5.977
tors. eta vs tors. theta energy: -19.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -135.108692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.108692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.108692 (E_RNA)
where:
Base-Base interactions energy: -55.570
where: short stacking energy: -43.330
Base-Backbone interact. energy: -0.125
local terms energy: -79.413385
where:
bonds (distance) C4'-P energy: -16.961
bonds (distance) P-C4' energy: -18.899
flat angles C4'-P-C4' energy: -18.962
flat angles P-C4'-P energy: -14.306
tors. eta vs tors. theta energy: -10.286
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: 5
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -185.365322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.365322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.365322 (E_RNA)
where:
Base-Base interactions energy: -111.392
where: short stacking energy: -52.309
Base-Backbone interact. energy: -0.172
local terms energy: -73.801482
where:
bonds (distance) C4'-P energy: -15.084
bonds (distance) P-C4' energy: -15.641
flat angles C4'-P-C4' energy: -21.712
flat angles P-C4'-P energy: -10.186
tors. eta vs tors. theta energy: -11.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -98.475765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.475765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.475765 (E_RNA)
where:
Base-Base interactions energy: -30.913
where: short stacking energy: -30.156
Base-Backbone interact. energy: -0.263
local terms energy: -67.300010
where:
bonds (distance) C4'-P energy: -17.702
bonds (distance) P-C4' energy: -23.259
flat angles C4'-P-C4' energy: -19.542
flat angles P-C4'-P energy: -5.211
tors. eta vs tors. theta energy: -1.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -98.850028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.850028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.850028 (E_RNA)
where:
Base-Base interactions energy: -38.574
where: short stacking energy: -27.409
Base-Backbone interact. energy: 0.747
local terms energy: -61.022604
where:
bonds (distance) C4'-P energy: -13.605
bonds (distance) P-C4' energy: -17.748
flat angles C4'-P-C4' energy: -19.002
flat angles P-C4'-P energy: -11.753
tors. eta vs tors. theta energy: 1.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -329.815371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.815371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.815371 (E_RNA)
where:
Base-Base interactions energy: -228.509
where: short stacking energy: -95.789
Base-Backbone interact. energy: -0.155
local terms energy: -101.150619
where:
bonds (distance) C4'-P energy: -24.074
bonds (distance) P-C4' energy: -16.267
flat angles C4'-P-C4' energy: -21.618
flat angles P-C4'-P energy: -12.700
tors. eta vs tors. theta energy: -26.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -326.195060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.195060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.195060 (E_RNA)
where:
Base-Base interactions energy: -227.144
where: short stacking energy: -88.103
Base-Backbone interact. energy: -0.217
local terms energy: -98.833123
where:
bonds (distance) C4'-P energy: -15.811
bonds (distance) P-C4' energy: -22.847
flat angles C4'-P-C4' energy: -23.102
flat angles P-C4'-P energy: -15.869
tors. eta vs tors. theta energy: -21.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -296.938354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.938354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.938354 (E_RNA)
where:
Base-Base interactions energy: -197.865
where: short stacking energy: -92.031
Base-Backbone interact. energy: -0.027
local terms energy: -99.045778
where:
bonds (distance) C4'-P energy: -19.916
bonds (distance) P-C4' energy: -17.372
flat angles C4'-P-C4' energy: -20.892
flat angles P-C4'-P energy: -13.130
tors. eta vs tors. theta energy: -27.735
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: 8
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -268.790876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.790876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.790876 (E_RNA)
where:
Base-Base interactions energy: -181.975
where: short stacking energy: -78.774
Base-Backbone interact. energy: -0.375
local terms energy: -86.440723
where:
bonds (distance) C4'-P energy: -20.195
bonds (distance) P-C4' energy: -17.660
flat angles C4'-P-C4' energy: -18.182
flat angles P-C4'-P energy: -10.780
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: 5, replica: 3
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -275.625156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.625156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.625156 (E_RNA)
where:
Base-Base interactions energy: -191.410
where: short stacking energy: -74.068
Base-Backbone interact. energy: -0.749
local terms energy: -83.466337
where:
bonds (distance) C4'-P energy: -14.994
bonds (distance) P-C4' energy: -18.851
flat angles C4'-P-C4' energy: -18.427
flat angles P-C4'-P energy: -11.195
tors. eta vs tors. theta energy: -20.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -232.128129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.128129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.128129 (E_RNA)
where:
Base-Base interactions energy: -146.416
where: short stacking energy: -72.372
Base-Backbone interact. energy: -0.039
local terms energy: -85.673402
where:
bonds (distance) C4'-P energy: -16.845
bonds (distance) P-C4' energy: -19.049
flat angles C4'-P-C4' energy: -15.367
flat angles P-C4'-P energy: -15.482
tors. eta vs tors. theta energy: -18.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -207.403851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.403851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.403851 (E_RNA)
where:
Base-Base interactions energy: -123.468
where: short stacking energy: -45.209
Base-Backbone interact. energy: 0.465
local terms energy: -84.401662
where:
bonds (distance) C4'-P energy: -16.253
bonds (distance) P-C4' energy: -20.156
flat angles C4'-P-C4' energy: -20.780
flat angles P-C4'-P energy: -14.031
tors. eta vs tors. theta energy: -13.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -115.010558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.010558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.010558 (E_RNA)
where:
Base-Base interactions energy: -57.233
where: short stacking energy: -35.467
Base-Backbone interact. energy: -0.043
local terms energy: -57.734281
where:
bonds (distance) C4'-P energy: -17.396
bonds (distance) P-C4' energy: -16.816
flat angles C4'-P-C4' energy: -15.390
flat angles P-C4'-P energy: -7.904
tors. eta vs tors. theta energy: -0.229
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: 9, replica: 4
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -107.187585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.187585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.187585 (E_RNA)
where:
Base-Base interactions energy: -45.850
where: short stacking energy: -42.689
Base-Backbone interact. energy: 0.089
local terms energy: -61.426957
where:
bonds (distance) C4'-P energy: -15.251
bonds (distance) P-C4' energy: -12.607
flat angles C4'-P-C4' energy: -14.212
flat angles P-C4'-P energy: -11.105
tors. eta vs tors. theta energy: -8.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -100.865132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.865132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.865132 (E_RNA)
where:
Base-Base interactions energy: -37.918
where: short stacking energy: -33.790
Base-Backbone interact. energy: 1.577
local terms energy: -64.523880
where:
bonds (distance) C4'-P energy: -16.166
bonds (distance) P-C4' energy: -17.126
flat angles C4'-P-C4' energy: -16.061
flat angles P-C4'-P energy: -12.576
tors. eta vs tors. theta energy: -2.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -331.318672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.318672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.318672 (E_RNA)
where:
Base-Base interactions energy: -228.252
where: short stacking energy: -93.769
Base-Backbone interact. energy: 0.550
local terms energy: -103.617171
where:
bonds (distance) C4'-P energy: -20.555
bonds (distance) P-C4' energy: -22.927
flat angles C4'-P-C4' energy: -23.381
flat angles P-C4'-P energy: -9.437
tors. eta vs tors. theta energy: -27.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -327.239854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.239854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.239854 (E_RNA)
where:
Base-Base interactions energy: -225.576
where: short stacking energy: -87.108
Base-Backbone interact. energy: -0.087
local terms energy: -101.576127
where:
bonds (distance) C4'-P energy: -18.734
bonds (distance) P-C4' energy: -22.968
flat angles C4'-P-C4' energy: -22.021
flat angles P-C4'-P energy: -11.724
tors. eta vs tors. theta energy: -26.130
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: 6
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -303.025971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.025971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.025971 (E_RNA)
where:
Base-Base interactions energy: -196.350
where: short stacking energy: -95.049
Base-Backbone interact. energy: -0.438
local terms energy: -106.238328
where:
bonds (distance) C4'-P energy: -19.312
bonds (distance) P-C4' energy: -22.426
flat angles C4'-P-C4' energy: -20.577
flat angles P-C4'-P energy: -13.762
tors. eta vs tors. theta energy: -30.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -279.367831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.367831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.367831 (E_RNA)
where:
Base-Base interactions energy: -187.615
where: short stacking energy: -83.722
Base-Backbone interact. energy: -0.019
local terms energy: -91.733766
where:
bonds (distance) C4'-P energy: -15.839
bonds (distance) P-C4' energy: -23.315
flat angles C4'-P-C4' energy: -19.426
flat angles P-C4'-P energy: -12.028
tors. eta vs tors. theta energy: -21.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -268.469757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.469757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.469757 (E_RNA)
where:
Base-Base interactions energy: -176.472
where: short stacking energy: -67.723
Base-Backbone interact. energy: -0.975
local terms energy: -91.022365
where:
bonds (distance) C4'-P energy: -23.690
bonds (distance) P-C4' energy: -17.294
flat angles C4'-P-C4' energy: -16.287
flat angles P-C4'-P energy: -14.537
tors. eta vs tors. theta energy: -19.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -216.820138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.820138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.820138 (E_RNA)
where:
Base-Base interactions energy: -147.953
where: short stacking energy: -66.435
Base-Backbone interact. energy: -0.621
local terms energy: -68.245336
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -19.314
flat angles C4'-P-C4' energy: -14.504
flat angles P-C4'-P energy: -1.266
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: 7, replica: 1
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -205.560885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.560885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.560885 (E_RNA)
where:
Base-Base interactions energy: -133.354
where: short stacking energy: -56.750
Base-Backbone interact. energy: -0.543
local terms energy: -71.663213
where:
bonds (distance) C4'-P energy: -16.678
bonds (distance) P-C4' energy: -14.573
flat angles C4'-P-C4' energy: -15.130
flat angles P-C4'-P energy: -12.294
tors. eta vs tors. theta energy: -12.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -111.385972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.385972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.385972 (E_RNA)
where:
Base-Base interactions energy: -56.339
where: short stacking energy: -41.730
Base-Backbone interact. energy: -0.015
local terms energy: -55.032443
where:
bonds (distance) C4'-P energy: -13.711
bonds (distance) P-C4' energy: -19.265
flat angles C4'-P-C4' energy: -13.952
flat angles P-C4'-P energy: -5.094
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: 9, replica: 9
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -133.903585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.903585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.903585 (E_RNA)
where:
Base-Base interactions energy: -79.943
where: short stacking energy: -43.877
Base-Backbone interact. energy: -0.183
local terms energy: -53.777732
where:
bonds (distance) C4'-P energy: -12.906
bonds (distance) P-C4' energy: -15.824
flat angles C4'-P-C4' energy: -12.808
flat angles P-C4'-P energy: -6.875
tors. eta vs tors. theta energy: -5.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -109.272096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.272096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.272096 (E_RNA)
where:
Base-Base interactions energy: -48.643
where: short stacking energy: -34.040
Base-Backbone interact. energy: 0.529
local terms energy: -61.158427
where:
bonds (distance) C4'-P energy: -16.915
bonds (distance) P-C4' energy: -21.411
flat angles C4'-P-C4' energy: -12.222
flat angles P-C4'-P energy: -10.536
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: 1, replica: 2
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -329.157960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.157960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.157960 (E_RNA)
where:
Base-Base interactions energy: -231.176
where: short stacking energy: -100.168
Base-Backbone interact. energy: -0.016
local terms energy: -97.966093
where:
bonds (distance) C4'-P energy: -20.448
bonds (distance) P-C4' energy: -17.595
flat angles C4'-P-C4' energy: -20.299
flat angles P-C4'-P energy: -13.946
tors. eta vs tors. theta energy: -25.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -327.584904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.584904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.584904 (E_RNA)
where:
Base-Base interactions energy: -224.755
where: short stacking energy: -88.995
Base-Backbone interact. energy: 1.171
local terms energy: -104.000371
where:
bonds (distance) C4'-P energy: -21.887
bonds (distance) P-C4' energy: -22.647
flat angles C4'-P-C4' energy: -21.641
flat angles P-C4'-P energy: -15.520
tors. eta vs tors. theta energy: -22.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -281.714653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.714653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.714653 (E_RNA)
where:
Base-Base interactions energy: -192.395
where: short stacking energy: -80.640
Base-Backbone interact. energy: -0.056
local terms energy: -89.262920
where:
bonds (distance) C4'-P energy: -20.745
bonds (distance) P-C4' energy: -19.715
flat angles C4'-P-C4' energy: -13.441
flat angles P-C4'-P energy: -12.138
tors. eta vs tors. theta energy: -23.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -302.106211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.106211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.106211 (E_RNA)
where:
Base-Base interactions energy: -201.471
where: short stacking energy: -98.051
Base-Backbone interact. energy: -0.253
local terms energy: -100.382150
where:
bonds (distance) C4'-P energy: -18.526
bonds (distance) P-C4' energy: -16.428
flat angles C4'-P-C4' energy: -20.437
flat angles P-C4'-P energy: -13.593
tors. eta vs tors. theta energy: -31.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -267.331381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.331381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.331381 (E_RNA)
where:
Base-Base interactions energy: -189.750
where: short stacking energy: -63.208
Base-Backbone interact. energy: -1.547
local terms energy: -76.034331
where:
bonds (distance) C4'-P energy: -17.840
bonds (distance) P-C4' energy: -14.518
flat angles C4'-P-C4' energy: -18.009
flat angles P-C4'-P energy: -9.607
tors. eta vs tors. theta energy: -16.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -208.386162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.386162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.386162 (E_RNA)
where:
Base-Base interactions energy: -123.037
where: short stacking energy: -57.221
Base-Backbone interact. energy: -0.175
local terms energy: -85.174338
where:
bonds (distance) C4'-P energy: -17.424
bonds (distance) P-C4' energy: -21.524
flat angles C4'-P-C4' energy: -18.912
flat angles P-C4'-P energy: -10.499
tors. eta vs tors. theta energy: -16.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -132.946939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.946939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.946939 (E_RNA)
where:
Base-Base interactions energy: -59.935
where: short stacking energy: -50.832
Base-Backbone interact. energy: -0.152
local terms energy: -72.859719
where:
bonds (distance) C4'-P energy: -17.093
bonds (distance) P-C4' energy: -15.578
flat angles C4'-P-C4' energy: -19.712
flat angles P-C4'-P energy: -6.784
tors. eta vs tors. theta energy: -13.694
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: 1
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -191.044694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.044694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.044694 (E_RNA)
where:
Base-Base interactions energy: -121.218
where: short stacking energy: -55.206
Base-Backbone interact. energy: -0.291
local terms energy: -69.535595
where:
bonds (distance) C4'-P energy: -20.588
bonds (distance) P-C4' energy: -9.399
flat angles C4'-P-C4' energy: -13.938
flat angles P-C4'-P energy: -12.874
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: 9, replica: 10
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -108.720084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.720084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.720084 (E_RNA)
where:
Base-Base interactions energy: -37.770
where: short stacking energy: -37.770
Base-Backbone interact. energy: -0.406
local terms energy: -70.544004
where:
bonds (distance) C4'-P energy: -20.492
bonds (distance) P-C4' energy: -20.519
flat angles C4'-P-C4' energy: -16.927
flat angles P-C4'-P energy: -9.546
tors. eta vs tors. theta energy: -3.060
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: 9
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -107.754301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.754301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.754301 (E_RNA)
where:
Base-Base interactions energy: -44.065
where: short stacking energy: -37.951
Base-Backbone interact. energy: -0.727
local terms energy: -62.962568
where:
bonds (distance) C4'-P energy: -11.541
bonds (distance) P-C4' energy: -21.828
flat angles C4'-P-C4' energy: -12.409
flat angles P-C4'-P energy: -11.864
tors. eta vs tors. theta energy: -5.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -329.484505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.484505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.484505 (E_RNA)
where:
Base-Base interactions energy: -222.173
where: short stacking energy: -91.130
Base-Backbone interact. energy: -0.827
local terms energy: -106.484510
where:
bonds (distance) C4'-P energy: -18.866
bonds (distance) P-C4' energy: -22.631
flat angles C4'-P-C4' energy: -23.105
flat angles P-C4'-P energy: -14.313
tors. eta vs tors. theta energy: -27.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -332.622664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.622664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.622664 (E_RNA)
where:
Base-Base interactions energy: -230.855
where: short stacking energy: -96.168
Base-Backbone interact. energy: -1.558
local terms energy: -100.209450
where:
bonds (distance) C4'-P energy: -18.811
bonds (distance) P-C4' energy: -19.047
flat angles C4'-P-C4' energy: -19.289
flat angles P-C4'-P energy: -13.157
tors. eta vs tors. theta energy: -29.905
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: 3, replica: 3
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -295.904130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.904130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.904130 (E_RNA)
where:
Base-Base interactions energy: -203.446
where: short stacking energy: -81.658
Base-Backbone interact. energy: -0.658
local terms energy: -91.800468
where:
bonds (distance) C4'-P energy: -20.241
bonds (distance) P-C4' energy: -15.180
flat angles C4'-P-C4' energy: -19.131
flat angles P-C4'-P energy: -12.689
tors. eta vs tors. theta energy: -24.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -301.465680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.465680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.465680 (E_RNA)
where:
Base-Base interactions energy: -191.251
where: short stacking energy: -88.295
Base-Backbone interact. energy: -0.108
local terms energy: -110.106889
where:
bonds (distance) C4'-P energy: -18.406
bonds (distance) P-C4' energy: -20.682
flat angles C4'-P-C4' energy: -24.869
flat angles P-C4'-P energy: -17.127
tors. eta vs tors. theta energy: -29.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -272.341817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.341817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.341817 (E_RNA)
where:
Base-Base interactions energy: -177.537
where: short stacking energy: -76.586
Base-Backbone interact. energy: 0.143
local terms energy: -94.947767
where:
bonds (distance) C4'-P energy: -20.075
bonds (distance) P-C4' energy: -16.554
flat angles C4'-P-C4' energy: -21.217
flat angles P-C4'-P energy: -14.377
tors. eta vs tors. theta energy: -22.724
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: 5
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -223.254169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.254169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.254169 (E_RNA)
where:
Base-Base interactions energy: -143.625
where: short stacking energy: -67.289
Base-Backbone interact. energy: -0.040
local terms energy: -79.589100
where:
bonds (distance) C4'-P energy: -15.203
bonds (distance) P-C4' energy: -20.831
flat angles C4'-P-C4' energy: -14.876
flat angles P-C4'-P energy: -12.750
tors. eta vs tors. theta energy: -15.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -152.676419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.676419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.676419 (E_RNA)
where:
Base-Base interactions energy: -92.446
where: short stacking energy: -51.911
Base-Backbone interact. energy: -0.885
local terms energy: -59.345533
where:
bonds (distance) C4'-P energy: -19.657
bonds (distance) P-C4' energy: -14.284
flat angles C4'-P-C4' energy: -13.667
flat angles P-C4'-P energy: -4.660
tors. eta vs tors. theta energy: -7.078
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: 10
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -119.599798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.599798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.599798 (E_RNA)
where:
Base-Base interactions energy: -50.352
where: short stacking energy: -36.118
Base-Backbone interact. energy: 0.699
local terms energy: -69.947166
where:
bonds (distance) C4'-P energy: -19.380
bonds (distance) P-C4' energy: -21.715
flat angles C4'-P-C4' energy: -14.771
flat angles P-C4'-P energy: -11.744
tors. eta vs tors. theta energy: -2.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -181.082305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.082305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.082305 (E_RNA)
where:
Base-Base interactions energy: -90.388
where: short stacking energy: -46.277
Base-Backbone interact. energy: -0.650
local terms energy: -90.044511
where:
bonds (distance) C4'-P energy: -19.570
bonds (distance) P-C4' energy: -23.934
flat angles C4'-P-C4' energy: -20.575
flat angles P-C4'-P energy: -11.484
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: 10, replica: 9
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -98.826013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.826013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.826013 (E_RNA)
where:
Base-Base interactions energy: -41.351
where: short stacking energy: -27.302
Base-Backbone interact. energy: -0.400
local terms energy: -57.075587
where:
bonds (distance) C4'-P energy: -11.645
bonds (distance) P-C4' energy: -13.779
flat angles C4'-P-C4' energy: -17.533
flat angles P-C4'-P energy: -12.551
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: 7
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -334.751584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.751584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.751584 (E_RNA)
where:
Base-Base interactions energy: -226.047
where: short stacking energy: -93.734
Base-Backbone interact. energy: -1.951
local terms energy: -106.754339
where:
bonds (distance) C4'-P energy: -21.098
bonds (distance) P-C4' energy: -18.731
flat angles C4'-P-C4' energy: -24.841
flat angles P-C4'-P energy: -14.899
tors. eta vs tors. theta energy: -27.185
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: 2
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -319.925373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.925373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.925373 (E_RNA)
where:
Base-Base interactions energy: -215.326
where: short stacking energy: -90.184
Base-Backbone interact. energy: -0.052
local terms energy: -104.547310
where:
bonds (distance) C4'-P energy: -19.991
bonds (distance) P-C4' energy: -18.161
flat angles C4'-P-C4' energy: -21.780
flat angles P-C4'-P energy: -18.334
tors. eta vs tors. theta energy: -26.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -301.456512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.456512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.456512 (E_RNA)
where:
Base-Base interactions energy: -198.426
where: short stacking energy: -95.646
Base-Backbone interact. energy: -1.335
local terms energy: -101.695863
where:
bonds (distance) C4'-P energy: -15.672
bonds (distance) P-C4' energy: -20.911
flat angles C4'-P-C4' energy: -21.305
flat angles P-C4'-P energy: -13.664
tors. eta vs tors. theta energy: -30.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -278.749446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.749446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.749446 (E_RNA)
where:
Base-Base interactions energy: -177.797
where: short stacking energy: -70.985
Base-Backbone interact. energy: -0.765
local terms energy: -100.187500
where:
bonds (distance) C4'-P energy: -21.140
bonds (distance) P-C4' energy: -21.320
flat angles C4'-P-C4' energy: -20.515
flat angles P-C4'-P energy: -13.603
tors. eta vs tors. theta energy: -23.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -270.504769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.504769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.504769 (E_RNA)
where:
Base-Base interactions energy: -177.227
where: short stacking energy: -76.003
Base-Backbone interact. energy: -1.107
local terms energy: -92.171156
where:
bonds (distance) C4'-P energy: -18.349
bonds (distance) P-C4' energy: -19.508
flat angles C4'-P-C4' energy: -23.351
flat angles P-C4'-P energy: -13.005
tors. eta vs tors. theta energy: -17.958
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: 5
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -197.238347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.238347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.238347 (E_RNA)
where:
Base-Base interactions energy: -123.716
where: short stacking energy: -55.976
Base-Backbone interact. energy: -0.385
local terms energy: -73.137304
where:
bonds (distance) C4'-P energy: -15.863
bonds (distance) P-C4' energy: -18.613
flat angles C4'-P-C4' energy: -18.140
flat angles P-C4'-P energy: -10.631
tors. eta vs tors. theta energy: -9.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -167.437734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.437734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.437734 (E_RNA)
where:
Base-Base interactions energy: -101.002
where: short stacking energy: -43.405
Base-Backbone interact. energy: 0.013
local terms energy: -66.448861
where:
bonds (distance) C4'-P energy: -16.365
bonds (distance) P-C4' energy: -18.447
flat angles C4'-P-C4' energy: -14.100
flat angles P-C4'-P energy: -10.718
tors. eta vs tors. theta energy: -6.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -116.268357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.268357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.268357 (E_RNA)
where:
Base-Base interactions energy: -45.402
where: short stacking energy: -40.655
Base-Backbone interact. energy: -0.453
local terms energy: -70.413460
where:
bonds (distance) C4'-P energy: -18.364
bonds (distance) P-C4' energy: -21.552
flat angles C4'-P-C4' energy: -8.664
flat angles P-C4'-P energy: -18.354
tors. eta vs tors. theta energy: -3.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -180.347115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.347115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.347115 (E_RNA)
where:
Base-Base interactions energy: -102.302
where: short stacking energy: -47.671
Base-Backbone interact. energy: -0.217
local terms energy: -77.828344
where:
bonds (distance) C4'-P energy: -13.044
bonds (distance) P-C4' energy: -17.108
flat angles C4'-P-C4' energy: -21.707
flat angles P-C4'-P energy: -14.915
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: 10, replica: 9
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -101.211041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.211041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.211041 (E_RNA)
where:
Base-Base interactions energy: -60.538
where: short stacking energy: -26.063
Base-Backbone interact. energy: -0.378
local terms energy: -40.294593
where:
bonds (distance) C4'-P energy: -14.119
bonds (distance) P-C4' energy: -15.735
flat angles C4'-P-C4' energy: -6.545
flat angles P-C4'-P energy: -10.433
tors. eta vs tors. theta energy: 6.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -326.651417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.651417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.651417 (E_RNA)
where:
Base-Base interactions energy: -222.873
where: short stacking energy: -93.754
Base-Backbone interact. energy: 0.290
local terms energy: -104.067903
where:
bonds (distance) C4'-P energy: -21.883
bonds (distance) P-C4' energy: -21.693
flat angles C4'-P-C4' energy: -22.272
flat angles P-C4'-P energy: -12.085
tors. eta vs tors. theta energy: -26.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -321.897598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.897598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.897598 (E_RNA)
where:
Base-Base interactions energy: -227.440
where: short stacking energy: -97.695
Base-Backbone interact. energy: -0.233
local terms energy: -94.224701
where:
bonds (distance) C4'-P energy: -14.362
bonds (distance) P-C4' energy: -17.103
flat angles C4'-P-C4' energy: -22.310
flat angles P-C4'-P energy: -13.043
tors. eta vs tors. theta energy: -27.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -302.361586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.361586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.361586 (E_RNA)
where:
Base-Base interactions energy: -196.008
where: short stacking energy: -95.075
Base-Backbone interact. energy: -0.003
local terms energy: -106.350609
where:
bonds (distance) C4'-P energy: -23.217
bonds (distance) P-C4' energy: -21.755
flat angles C4'-P-C4' energy: -22.351
flat angles P-C4'-P energy: -15.398
tors. eta vs tors. theta energy: -23.630
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: 8
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -286.992506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.992506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.992506 (E_RNA)
where:
Base-Base interactions energy: -197.133
where: short stacking energy: -86.363
Base-Backbone interact. energy: -0.856
local terms energy: -89.004144
where:
bonds (distance) C4'-P energy: -23.727
bonds (distance) P-C4' energy: -13.315
flat angles C4'-P-C4' energy: -20.697
flat angles P-C4'-P energy: -8.413
tors. eta vs tors. theta energy: -22.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -291.495776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.495776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.495776 (E_RNA)
where:
Base-Base interactions energy: -203.478
where: short stacking energy: -76.853
Base-Backbone interact. energy: -0.063
local terms energy: -87.954389
where:
bonds (distance) C4'-P energy: -21.629
bonds (distance) P-C4' energy: -21.992
flat angles C4'-P-C4' energy: -17.978
flat angles P-C4'-P energy: -5.223
tors. eta vs tors. theta energy: -21.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -222.566182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.566182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.566182 (E_RNA)
where:
Base-Base interactions energy: -146.818
where: short stacking energy: -76.369
Base-Backbone interact. energy: 0.325
local terms energy: -76.072894
where:
bonds (distance) C4'-P energy: -10.928
bonds (distance) P-C4' energy: -20.615
flat angles C4'-P-C4' energy: -20.410
flat angles P-C4'-P energy: -5.926
tors. eta vs tors. theta energy: -18.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -194.240436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.240436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.240436 (E_RNA)
where:
Base-Base interactions energy: -102.072
where: short stacking energy: -66.736
Base-Backbone interact. energy: -0.650
local terms energy: -91.518279
where:
bonds (distance) C4'-P energy: -16.296
bonds (distance) P-C4' energy: -21.065
flat angles C4'-P-C4' energy: -18.401
flat angles P-C4'-P energy: -18.115
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: 8, replica: 1
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -113.448813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.448813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.448813 (E_RNA)
where:
Base-Base interactions energy: -47.021
where: short stacking energy: -44.768
Base-Backbone interact. energy: 1.045
local terms energy: -67.473468
where:
bonds (distance) C4'-P energy: -12.926
bonds (distance) P-C4' energy: -21.356
flat angles C4'-P-C4' energy: -18.728
flat angles P-C4'-P energy: -10.656
tors. eta vs tors. theta energy: -3.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -98.027350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.027350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.027350 (E_RNA)
where:
Base-Base interactions energy: -44.025
where: short stacking energy: -35.420
Base-Backbone interact. energy: -0.166
local terms energy: -53.836934
where:
bonds (distance) C4'-P energy: -14.437
bonds (distance) P-C4' energy: -18.029
flat angles C4'-P-C4' energy: -14.790
flat angles P-C4'-P energy: -7.989
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: 10, replica: 9
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -98.698965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.698965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.698965 (E_RNA)
where:
Base-Base interactions energy: -40.822
where: short stacking energy: -36.856
Base-Backbone interact. energy: -0.044
local terms energy: -57.833139
where:
bonds (distance) C4'-P energy: -14.427
bonds (distance) P-C4' energy: -13.260
flat angles C4'-P-C4' energy: -15.738
flat angles P-C4'-P energy: -9.504
tors. eta vs tors. theta energy: -4.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -332.175598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.175598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.175598 (E_RNA)
where:
Base-Base interactions energy: -230.441
where: short stacking energy: -94.488
Base-Backbone interact. energy: -0.206
local terms energy: -101.528228
where:
bonds (distance) C4'-P energy: -21.937
bonds (distance) P-C4' energy: -16.012
flat angles C4'-P-C4' energy: -23.792
flat angles P-C4'-P energy: -11.874
tors. eta vs tors. theta energy: -27.913
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: 56
Temperature: 0.950000
Total energy: -323.017534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.017534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.017534 (E_RNA)
where:
Base-Base interactions energy: -221.832
where: short stacking energy: -96.306
Base-Backbone interact. energy: -0.186
local terms energy: -100.999928
where:
bonds (distance) C4'-P energy: -14.418
bonds (distance) P-C4' energy: -22.595
flat angles C4'-P-C4' energy: -20.369
flat angles P-C4'-P energy: -16.675
tors. eta vs tors. theta energy: -26.943
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: 8
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -295.499510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.499510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.499510 (E_RNA)
where:
Base-Base interactions energy: -204.753
where: short stacking energy: -90.723
Base-Backbone interact. energy: -0.016
local terms energy: -90.730519
where:
bonds (distance) C4'-P energy: -19.606
bonds (distance) P-C4' energy: -17.235
flat angles C4'-P-C4' energy: -20.943
flat angles P-C4'-P energy: -9.684
tors. eta vs tors. theta energy: -23.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -305.342889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.342889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.342889 (E_RNA)
where:
Base-Base interactions energy: -209.513
where: short stacking energy: -100.830
Base-Backbone interact. energy: -0.044
local terms energy: -95.786271
where:
bonds (distance) C4'-P energy: -14.623
bonds (distance) P-C4' energy: -20.036
flat angles C4'-P-C4' energy: -16.366
flat angles P-C4'-P energy: -14.188
tors. eta vs tors. theta energy: -30.574
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: 56
Temperature: 1.100000
Total energy: -240.578335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.578335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.578335 (E_RNA)
where:
Base-Base interactions energy: -153.551
where: short stacking energy: -73.268
Base-Backbone interact. energy: 0.334
local terms energy: -87.361774
where:
bonds (distance) C4'-P energy: -15.693
bonds (distance) P-C4' energy: -23.100
flat angles C4'-P-C4' energy: -20.754
flat angles P-C4'-P energy: -13.024
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: 6, replica: 3
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -276.003354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.003354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.003354 (E_RNA)
where:
Base-Base interactions energy: -183.991
where: short stacking energy: -69.118
Base-Backbone interact. energy: -0.318
local terms energy: -91.695013
where:
bonds (distance) C4'-P energy: -15.869
bonds (distance) P-C4' energy: -19.312
flat angles C4'-P-C4' energy: -20.224
flat angles P-C4'-P energy: -11.929
tors. eta vs tors. theta energy: -24.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -183.762616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.762616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.762616 (E_RNA)
where:
Base-Base interactions energy: -109.176
where: short stacking energy: -49.027
Base-Backbone interact. energy: -0.738
local terms energy: -73.848473
where:
bonds (distance) C4'-P energy: -17.985
bonds (distance) P-C4' energy: -20.028
flat angles C4'-P-C4' energy: -15.611
flat angles P-C4'-P energy: -14.150
tors. eta vs tors. theta energy: -6.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -126.618841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.618841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.618841 (E_RNA)
where:
Base-Base interactions energy: -62.691
where: short stacking energy: -34.172
Base-Backbone interact. energy: 0.954
local terms energy: -64.881675
where:
bonds (distance) C4'-P energy: -18.646
bonds (distance) P-C4' energy: -19.442
flat angles C4'-P-C4' energy: -19.158
flat angles P-C4'-P energy: -9.975
tors. eta vs tors. theta energy: 2.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -102.554162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.554162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.554162 (E_RNA)
where:
Base-Base interactions energy: -37.685
where: short stacking energy: -31.730
Base-Backbone interact. energy: -0.199
local terms energy: -64.670535
where:
bonds (distance) C4'-P energy: -18.832
bonds (distance) P-C4' energy: -19.769
flat angles C4'-P-C4' energy: -14.328
flat angles P-C4'-P energy: -6.330
tors. eta vs tors. theta energy: -5.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -98.313284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.313284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.313284 (E_RNA)
where:
Base-Base interactions energy: -39.550
where: short stacking energy: -39.550
Base-Backbone interact. energy: -0.047
local terms energy: -58.715751
where:
bonds (distance) C4'-P energy: -15.963
bonds (distance) P-C4' energy: -17.089
flat angles C4'-P-C4' energy: -9.145
flat angles P-C4'-P energy: -10.263
tors. eta vs tors. theta energy: -6.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -334.135680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.135680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.135680 (E_RNA)
where:
Base-Base interactions energy: -226.243
where: short stacking energy: -93.632
Base-Backbone interact. energy: -0.179
local terms energy: -107.713977
where:
bonds (distance) C4'-P energy: -23.490
bonds (distance) P-C4' energy: -19.949
flat angles C4'-P-C4' energy: -22.675
flat angles P-C4'-P energy: -14.422
tors. eta vs tors. theta energy: -27.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -293.870524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.870524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.870524 (E_RNA)
where:
Base-Base interactions energy: -203.825
where: short stacking energy: -87.256
Base-Backbone interact. energy: 0.720
local terms energy: -90.765058
where:
bonds (distance) C4'-P energy: -18.277
bonds (distance) P-C4' energy: -18.478
flat angles C4'-P-C4' energy: -20.468
flat angles P-C4'-P energy: -17.651
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: 3, replica: 2
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -309.326269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.326269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.326269 (E_RNA)
where:
Base-Base interactions energy: -218.754
where: short stacking energy: -94.717
Base-Backbone interact. energy: -0.149
local terms energy: -90.423483
where:
bonds (distance) C4'-P energy: -14.009
bonds (distance) P-C4' energy: -20.700
flat angles C4'-P-C4' energy: -15.637
flat angles P-C4'-P energy: -12.703
tors. eta vs tors. theta energy: -27.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -299.621771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.621771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.621771 (E_RNA)
where:
Base-Base interactions energy: -187.905
where: short stacking energy: -95.972
Base-Backbone interact. energy: -0.001
local terms energy: -111.715543
where:
bonds (distance) C4'-P energy: -20.792
bonds (distance) P-C4' energy: -24.404
flat angles C4'-P-C4' energy: -21.521
flat angles P-C4'-P energy: -16.258
tors. eta vs tors. theta energy: -28.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -240.474652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.474652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.474652 (E_RNA)
where:
Base-Base interactions energy: -146.147
where: short stacking energy: -72.588
Base-Backbone interact. energy: -0.014
local terms energy: -94.313828
where:
bonds (distance) C4'-P energy: -19.363
bonds (distance) P-C4' energy: -20.534
flat angles C4'-P-C4' energy: -19.854
flat angles P-C4'-P energy: -14.549
tors. eta vs tors. theta energy: -20.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -260.123169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.123169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.123169 (E_RNA)
where:
Base-Base interactions energy: -163.494
where: short stacking energy: -73.843
Base-Backbone interact. energy: -0.722
local terms energy: -95.907481
where:
bonds (distance) C4'-P energy: -22.662
bonds (distance) P-C4' energy: -24.291
flat angles C4'-P-C4' energy: -14.443
flat angles P-C4'-P energy: -13.032
tors. eta vs tors. theta energy: -21.480
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: 5
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -169.170679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.170679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.170679 (E_RNA)
where:
Base-Base interactions energy: -96.306
where: short stacking energy: -51.346
Base-Backbone interact. energy: -0.301
local terms energy: -72.563604
where:
bonds (distance) C4'-P energy: -15.764
bonds (distance) P-C4' energy: -20.396
flat angles C4'-P-C4' energy: -17.329
flat angles P-C4'-P energy: -5.038
tors. eta vs tors. theta energy: -14.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -144.613728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.613728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.613728 (E_RNA)
where:
Base-Base interactions energy: -69.679
where: short stacking energy: -47.848
Base-Backbone interact. energy: 0.105
local terms energy: -75.039657
where:
bonds (distance) C4'-P energy: -19.743
bonds (distance) P-C4' energy: -19.490
flat angles C4'-P-C4' energy: -19.283
flat angles P-C4'-P energy: -9.971
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: 9, replica: 1
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -108.046193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.046193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.046193 (E_RNA)
where:
Base-Base interactions energy: -40.522
where: short stacking energy: -34.051
Base-Backbone interact. energy: -0.183
local terms energy: -67.341878
where:
bonds (distance) C4'-P energy: -17.544
bonds (distance) P-C4' energy: -21.714
flat angles C4'-P-C4' energy: -19.271
flat angles P-C4'-P energy: -5.834
tors. eta vs tors. theta energy: -2.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -89.229647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.229647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.229647 (E_RNA)
where:
Base-Base interactions energy: -41.775
where: short stacking energy: -31.655
Base-Backbone interact. energy: -0.253
local terms energy: -47.202159
where:
bonds (distance) C4'-P energy: -17.782
bonds (distance) P-C4' energy: -14.856
flat angles C4'-P-C4' energy: -11.125
flat angles P-C4'-P energy: -5.851
tors. eta vs tors. theta energy: 2.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -331.728265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.728265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.728265 (E_RNA)
where:
Base-Base interactions energy: -235.599
where: short stacking energy: -97.663
Base-Backbone interact. energy: -0.180
local terms energy: -95.949712
where:
bonds (distance) C4'-P energy: -9.203
bonds (distance) P-C4' energy: -23.014
flat angles C4'-P-C4' energy: -23.470
flat angles P-C4'-P energy: -15.903
tors. eta vs tors. theta energy: -24.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -296.071966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.071966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.071966 (E_RNA)
where:
Base-Base interactions energy: -207.062
where: short stacking energy: -88.475
Base-Backbone interact. energy: -0.585
local terms energy: -88.424808
where:
bonds (distance) C4'-P energy: -14.854
bonds (distance) P-C4' energy: -21.789
flat angles C4'-P-C4' energy: -17.237
flat angles P-C4'-P energy: -11.076
tors. eta vs tors. theta energy: -23.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -309.518770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.518770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.518770 (E_RNA)
where:
Base-Base interactions energy: -207.459
where: short stacking energy: -92.865
Base-Backbone interact. energy: -0.299
local terms energy: -101.760346
where:
bonds (distance) C4'-P energy: -16.912
bonds (distance) P-C4' energy: -17.984
flat angles C4'-P-C4' energy: -20.427
flat angles P-C4'-P energy: -17.510
tors. eta vs tors. theta energy: -28.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -325.157467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.157467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.157467 (E_RNA)
where:
Base-Base interactions energy: -225.566
where: short stacking energy: -100.957
Base-Backbone interact. energy: -0.845
local terms energy: -98.746127
where:
bonds (distance) C4'-P energy: -19.449
bonds (distance) P-C4' energy: -20.362
flat angles C4'-P-C4' energy: -18.277
flat angles P-C4'-P energy: -12.226
tors. eta vs tors. theta energy: -28.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -272.687424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.687424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.687424 (E_RNA)
where:
Base-Base interactions energy: -188.793
where: short stacking energy: -68.284
Base-Backbone interact. energy: -0.459
local terms energy: -83.435542
where:
bonds (distance) C4'-P energy: -20.087
bonds (distance) P-C4' energy: -19.922
flat angles C4'-P-C4' energy: -16.811
flat angles P-C4'-P energy: -6.846
tors. eta vs tors. theta energy: -19.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -243.552764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.552764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.552764 (E_RNA)
where:
Base-Base interactions energy: -156.818
where: short stacking energy: -78.019
Base-Backbone interact. energy: -0.002
local terms energy: -86.733014
where:
bonds (distance) C4'-P energy: -16.933
bonds (distance) P-C4' energy: -14.818
flat angles C4'-P-C4' energy: -22.781
flat angles P-C4'-P energy: -11.756
tors. eta vs tors. theta energy: -20.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -135.907448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.907448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.907448 (E_RNA)
where:
Base-Base interactions energy: -58.326
where: short stacking energy: -49.363
Base-Backbone interact. energy: -0.182
local terms energy: -77.399701
where:
bonds (distance) C4'-P energy: -12.634
bonds (distance) P-C4' energy: -20.686
flat angles C4'-P-C4' energy: -17.544
flat angles P-C4'-P energy: -13.382
tors. eta vs tors. theta energy: -13.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -164.741727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.741727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.741727 (E_RNA)
where:
Base-Base interactions energy: -99.093
where: short stacking energy: -58.022
Base-Backbone interact. energy: -0.358
local terms energy: -65.290206
where:
bonds (distance) C4'-P energy: -15.795
bonds (distance) P-C4' energy: -20.693
flat angles C4'-P-C4' energy: -14.222
flat angles P-C4'-P energy: -8.001
tors. eta vs tors. theta energy: -6.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -109.212908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.212908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.212908 (E_RNA)
where:
Base-Base interactions energy: -41.106
where: short stacking energy: -34.992
Base-Backbone interact. energy: -0.397
local terms energy: -67.710052
where:
bonds (distance) C4'-P energy: -17.524
bonds (distance) P-C4' energy: -22.771
flat angles C4'-P-C4' energy: -12.359
flat angles P-C4'-P energy: -11.434
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: 10, replica: 1
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -106.097906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.097906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.097906 (E_RNA)
where:
Base-Base interactions energy: -51.361
where: short stacking energy: -33.830
Base-Backbone interact. energy: 1.175
local terms energy: -55.911320
where:
bonds (distance) C4'-P energy: -17.438
bonds (distance) P-C4' energy: -15.437
flat angles C4'-P-C4' energy: -10.200
flat angles P-C4'-P energy: -8.809
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: 1, replica: 7
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -335.327951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.327951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.327951 (E_RNA)
where:
Base-Base interactions energy: -231.782
where: short stacking energy: -96.023
Base-Backbone interact. energy: -0.555
local terms energy: -102.990801
where:
bonds (distance) C4'-P energy: -21.378
bonds (distance) P-C4' energy: -17.718
flat angles C4'-P-C4' energy: -23.388
flat angles P-C4'-P energy: -10.437
tors. eta vs tors. theta energy: -30.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -313.129916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.129916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.129916 (E_RNA)
where:
Base-Base interactions energy: -212.554
where: short stacking energy: -98.693
Base-Backbone interact. energy: 0.404
local terms energy: -100.979380
where:
bonds (distance) C4'-P energy: -13.550
bonds (distance) P-C4' energy: -21.211
flat angles C4'-P-C4' energy: -23.594
flat angles P-C4'-P energy: -13.861
tors. eta vs tors. theta energy: -28.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -293.531016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.531016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.531016 (E_RNA)
where:
Base-Base interactions energy: -195.912
where: short stacking energy: -84.325
Base-Backbone interact. energy: -0.041
local terms energy: -97.578475
where:
bonds (distance) C4'-P energy: -20.547
bonds (distance) P-C4' energy: -22.127
flat angles C4'-P-C4' energy: -17.869
flat angles P-C4'-P energy: -11.405
tors. eta vs tors. theta energy: -25.630
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: 2
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -302.591163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.591163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.591163 (E_RNA)
where:
Base-Base interactions energy: -205.645
where: short stacking energy: -85.538
Base-Backbone interact. energy: -0.555
local terms energy: -96.390934
where:
bonds (distance) C4'-P energy: -22.003
bonds (distance) P-C4' energy: -15.051
flat angles C4'-P-C4' energy: -20.123
flat angles P-C4'-P energy: -12.520
tors. eta vs tors. theta energy: -26.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -261.167670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.167670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.167670 (E_RNA)
where:
Base-Base interactions energy: -174.310
where: short stacking energy: -68.185
Base-Backbone interact. energy: -0.319
local terms energy: -86.538982
where:
bonds (distance) C4'-P energy: -21.304
bonds (distance) P-C4' energy: -19.766
flat angles C4'-P-C4' energy: -17.809
flat angles P-C4'-P energy: -9.608
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: 6, replica: 4
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -239.560108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.560108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.560108 (E_RNA)
where:
Base-Base interactions energy: -151.654
where: short stacking energy: -71.856
Base-Backbone interact. energy: -0.340
local terms energy: -87.565704
where:
bonds (distance) C4'-P energy: -18.837
bonds (distance) P-C4' energy: -22.340
flat angles C4'-P-C4' energy: -16.938
flat angles P-C4'-P energy: -12.479
tors. eta vs tors. theta energy: -16.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -141.564533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.564533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.564533 (E_RNA)
where:
Base-Base interactions energy: -78.418
where: short stacking energy: -43.338
Base-Backbone interact. energy: -0.909
local terms energy: -62.237277
where:
bonds (distance) C4'-P energy: -16.825
bonds (distance) P-C4' energy: -13.464
flat angles C4'-P-C4' energy: -13.781
flat angles P-C4'-P energy: -8.487
tors. eta vs tors. theta energy: -9.680
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: 10
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -106.088022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.088022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.088022 (E_RNA)
where:
Base-Base interactions energy: -37.708
where: short stacking energy: -31.124
Base-Backbone interact. energy: -0.637
local terms energy: -67.742343
where:
bonds (distance) C4'-P energy: -22.377
bonds (distance) P-C4' energy: -17.929
flat angles C4'-P-C4' energy: -19.049
flat angles P-C4'-P energy: -3.392
tors. eta vs tors. theta energy: -4.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -116.806467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.806467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.806467 (E_RNA)
where:
Base-Base interactions energy: -45.754
where: short stacking energy: -48.705
Base-Backbone interact. energy: -0.052
local terms energy: -71.000829
where:
bonds (distance) C4'-P energy: -18.431
bonds (distance) P-C4' energy: -19.225
flat angles C4'-P-C4' energy: -18.178
flat angles P-C4'-P energy: -9.468
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: 10, replica: 1
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -100.683675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.683675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.683675 (E_RNA)
where:
Base-Base interactions energy: -45.799
where: short stacking energy: -37.193
Base-Backbone interact. energy: -0.421
local terms energy: -54.463808
where:
bonds (distance) C4'-P energy: -17.922
bonds (distance) P-C4' energy: -15.989
flat angles C4'-P-C4' energy: -9.479
flat angles P-C4'-P energy: -4.970
tors. eta vs tors. theta energy: -6.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -336.449587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.449587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.449587 (E_RNA)
where:
Base-Base interactions energy: -241.081
where: short stacking energy: -104.696
Base-Backbone interact. energy: -1.245
local terms energy: -94.122800
where:
bonds (distance) C4'-P energy: -17.533
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -18.217
flat angles P-C4'-P energy: -14.915
tors. eta vs tors. theta energy: -29.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -310.266342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.266342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.266342 (E_RNA)
where:
Base-Base interactions energy: -198.468
where: short stacking energy: -91.496
Base-Backbone interact. energy: -0.015
local terms energy: -111.783208
where:
bonds (distance) C4'-P energy: -21.511
bonds (distance) P-C4' energy: -18.421
flat angles C4'-P-C4' energy: -21.973
flat angles P-C4'-P energy: -17.697
tors. eta vs tors. theta energy: -32.181
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: 3, replica: 2
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -320.705870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.705870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.705870 (E_RNA)
where:
Base-Base interactions energy: -217.489
where: short stacking energy: -95.846
Base-Backbone interact. energy: -0.160
local terms energy: -103.056881
where:
bonds (distance) C4'-P energy: -17.958
bonds (distance) P-C4' energy: -18.650
flat angles C4'-P-C4' energy: -21.140
flat angles P-C4'-P energy: -16.796
tors. eta vs tors. theta energy: -28.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -286.265934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.265934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.265934 (E_RNA)
where:
Base-Base interactions energy: -199.008
where: short stacking energy: -77.884
Base-Backbone interact. energy: -0.264
local terms energy: -86.994569
where:
bonds (distance) C4'-P energy: -17.488
bonds (distance) P-C4' energy: -20.687
flat angles C4'-P-C4' energy: -18.214
flat angles P-C4'-P energy: -8.705
tors. eta vs tors. theta energy: -21.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -264.106969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.106969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.106969 (E_RNA)
where:
Base-Base interactions energy: -173.848
where: short stacking energy: -64.896
Base-Backbone interact. energy: -0.288
local terms energy: -89.971637
where:
bonds (distance) C4'-P energy: -17.951
bonds (distance) P-C4' energy: -22.604
flat angles C4'-P-C4' energy: -17.129
flat angles P-C4'-P energy: -14.966
tors. eta vs tors. theta energy: -17.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -229.933370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.933370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.933370 (E_RNA)
where:
Base-Base interactions energy: -149.128
where: short stacking energy: -64.561
Base-Backbone interact. energy: -0.153
local terms energy: -80.652895
where:
bonds (distance) C4'-P energy: -20.171
bonds (distance) P-C4' energy: -19.470
flat angles C4'-P-C4' energy: -16.538
flat angles P-C4'-P energy: -9.977
tors. eta vs tors. theta energy: -14.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -122.635641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.635641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.635641 (E_RNA)
where:
Base-Base interactions energy: -57.852
where: short stacking energy: -39.135
Base-Backbone interact. energy: -0.173
local terms energy: -64.611209
where:
bonds (distance) C4'-P energy: -18.443
bonds (distance) P-C4' energy: -19.027
flat angles C4'-P-C4' energy: -14.175
flat angles P-C4'-P energy: -12.606
tors. eta vs tors. theta energy: -0.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -117.549749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.549749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.549749 (E_RNA)
where:
Base-Base interactions energy: -51.115
where: short stacking energy: -42.788
Base-Backbone interact. energy: -0.045
local terms energy: -66.389430
where:
bonds (distance) C4'-P energy: -13.169
bonds (distance) P-C4' energy: -18.126
flat angles C4'-P-C4' energy: -18.417
flat angles P-C4'-P energy: -6.574
tors. eta vs tors. theta energy: -10.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -104.457328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.457328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.457328 (E_RNA)
where:
Base-Base interactions energy: -41.962
where: short stacking energy: -41.962
Base-Backbone interact. energy: -0.220
local terms energy: -62.275448
where:
bonds (distance) C4'-P energy: -12.301
bonds (distance) P-C4' energy: -13.716
flat angles C4'-P-C4' energy: -17.480
flat angles P-C4'-P energy: -13.812
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: 5
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -106.206734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.206734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.206734 (E_RNA)
where:
Base-Base interactions energy: -50.537
where: short stacking energy: -22.661
Base-Backbone interact. energy: 0.259
local terms energy: -55.929353
where:
bonds (distance) C4'-P energy: -17.333
bonds (distance) P-C4' energy: -25.082
flat angles C4'-P-C4' energy: -7.027
flat angles P-C4'-P energy: -7.554
tors. eta vs tors. theta energy: 1.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -330.624515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.624515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.624515 (E_RNA)
where:
Base-Base interactions energy: -230.819
where: short stacking energy: -88.437
Base-Backbone interact. energy: 0.282
local terms energy: -100.087530
where:
bonds (distance) C4'-P energy: -21.052
bonds (distance) P-C4' energy: -23.268
flat angles C4'-P-C4' energy: -17.018
flat angles P-C4'-P energy: -16.036
tors. eta vs tors. theta energy: -22.713
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: 2, replica: 2
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -326.664838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.664838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.664838 (E_RNA)
where:
Base-Base interactions energy: -221.591
where: short stacking energy: -92.090
Base-Backbone interact. energy: -0.639
local terms energy: -104.434570
where:
bonds (distance) C4'-P energy: -20.103
bonds (distance) P-C4' energy: -24.470
flat angles C4'-P-C4' energy: -18.943
flat angles P-C4'-P energy: -12.366
tors. eta vs tors. theta energy: -28.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -304.223924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.223924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.223924 (E_RNA)
where:
Base-Base interactions energy: -204.366
where: short stacking energy: -93.952
Base-Backbone interact. energy: -0.069
local terms energy: -99.789433
where:
bonds (distance) C4'-P energy: -18.749
bonds (distance) P-C4' energy: -17.953
flat angles C4'-P-C4' energy: -20.432
flat angles P-C4'-P energy: -16.538
tors. eta vs tors. theta energy: -26.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -287.973521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.973521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.973521 (E_RNA)
where:
Base-Base interactions energy: -203.505
where: short stacking energy: -66.069
Base-Backbone interact. energy: 0.196
local terms energy: -84.664516
where:
bonds (distance) C4'-P energy: -17.834
bonds (distance) P-C4' energy: -19.459
flat angles C4'-P-C4' energy: -18.867
flat angles P-C4'-P energy: -14.053
tors. eta vs tors. theta energy: -14.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -268.857528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.857528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.857528 (E_RNA)
where:
Base-Base interactions energy: -177.069
where: short stacking energy: -68.740
Base-Backbone interact. energy: -0.264
local terms energy: -91.524437
where:
bonds (distance) C4'-P energy: -21.879
bonds (distance) P-C4' energy: -20.422
flat angles C4'-P-C4' energy: -19.666
flat angles P-C4'-P energy: -10.381
tors. eta vs tors. theta energy: -19.177
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: 4
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -223.354192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.354192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.354192 (E_RNA)
where:
Base-Base interactions energy: -148.561
where: short stacking energy: -60.315
Base-Backbone interact. energy: 0.889
local terms energy: -75.681831
where:
bonds (distance) C4'-P energy: -14.399
bonds (distance) P-C4' energy: -20.583
flat angles C4'-P-C4' energy: -16.109
flat angles P-C4'-P energy: -11.051
tors. eta vs tors. theta energy: -13.540
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: 10
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -119.909363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.909363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.909363 (E_RNA)
where:
Base-Base interactions energy: -58.420
where: short stacking energy: -40.412
Base-Backbone interact. energy: -0.203
local terms energy: -61.287103
where:
bonds (distance) C4'-P energy: -18.394
bonds (distance) P-C4' energy: -16.327
flat angles C4'-P-C4' energy: -13.120
flat angles P-C4'-P energy: -8.051
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: 1
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -116.755502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.755502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.755502 (E_RNA)
where:
Base-Base interactions energy: -39.617
where: short stacking energy: -39.617
Base-Backbone interact. energy: -0.028
local terms energy: -77.110893
where:
bonds (distance) C4'-P energy: -15.603
bonds (distance) P-C4' energy: -18.911
flat angles C4'-P-C4' energy: -20.003
flat angles P-C4'-P energy: -12.951
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: 9, replica: 9
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -108.041152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.041152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.041152 (E_RNA)
where:
Base-Base interactions energy: -39.510
where: short stacking energy: -33.801
Base-Backbone interact. energy: 0.855
local terms energy: -69.386233
where:
bonds (distance) C4'-P energy: -21.807
bonds (distance) P-C4' energy: -18.107
flat angles C4'-P-C4' energy: -13.952
flat angles P-C4'-P energy: -11.993
tors. eta vs tors. theta energy: -3.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -99.477983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.477983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.477983 (E_RNA)
where:
Base-Base interactions energy: -39.241
where: short stacking energy: -25.780
Base-Backbone interact. energy: 1.700
local terms energy: -61.936140
where:
bonds (distance) C4'-P energy: -20.043
bonds (distance) P-C4' energy: -17.945
flat angles C4'-P-C4' energy: -14.310
flat angles P-C4'-P energy: -10.990
tors. eta vs tors. theta energy: 1.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -332.480852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.480852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.480852 (E_RNA)
where:
Base-Base interactions energy: -225.761
where: short stacking energy: -95.653
Base-Backbone interact. energy: 0.525
local terms energy: -107.245430
where:
bonds (distance) C4'-P energy: -20.534
bonds (distance) P-C4' energy: -19.798
flat angles C4'-P-C4' energy: -24.073
flat angles P-C4'-P energy: -14.623
tors. eta vs tors. theta energy: -28.217
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: 7
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -328.753697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.753697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.753697 (E_RNA)
where:
Base-Base interactions energy: -232.151
where: short stacking energy: -89.828
Base-Backbone interact. energy: -0.101
local terms energy: -96.501376
where:
bonds (distance) C4'-P energy: -17.570
bonds (distance) P-C4' energy: -17.458
flat angles C4'-P-C4' energy: -22.550
flat angles P-C4'-P energy: -16.500
tors. eta vs tors. theta energy: -22.423
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: 3, replica: 6
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -309.053213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.053213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.053213 (E_RNA)
where:
Base-Base interactions energy: -204.873
where: short stacking energy: -100.046
Base-Backbone interact. energy: -0.001
local terms energy: -104.180012
where:
bonds (distance) C4'-P energy: -16.459
bonds (distance) P-C4' energy: -19.510
flat angles C4'-P-C4' energy: -24.656
flat angles P-C4'-P energy: -12.905
tors. eta vs tors. theta energy: -30.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -276.497544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.497544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.497544 (E_RNA)
where:
Base-Base interactions energy: -185.969
where: short stacking energy: -71.145
Base-Backbone interact. energy: 0.147
local terms energy: -90.676075
where:
bonds (distance) C4'-P energy: -21.759
bonds (distance) P-C4' energy: -20.327
flat angles C4'-P-C4' energy: -17.889
flat angles P-C4'-P energy: -11.455
tors. eta vs tors. theta energy: -19.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -271.597641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.597641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.597641 (E_RNA)
where:
Base-Base interactions energy: -189.094
where: short stacking energy: -73.167
Base-Backbone interact. energy: 1.732
local terms energy: -84.236527
where:
bonds (distance) C4'-P energy: -22.510
bonds (distance) P-C4' energy: -19.930
flat angles C4'-P-C4' energy: -18.473
flat angles P-C4'-P energy: -10.986
tors. eta vs tors. theta energy: -12.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -236.640659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.640659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.640659 (E_RNA)
where:
Base-Base interactions energy: -146.724
where: short stacking energy: -69.998
Base-Backbone interact. energy: -0.821
local terms energy: -89.095758
where:
bonds (distance) C4'-P energy: -21.313
bonds (distance) P-C4' energy: -21.546
flat angles C4'-P-C4' energy: -19.362
flat angles P-C4'-P energy: -9.160
tors. eta vs tors. theta energy: -17.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -107.564191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.564191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.564191 (E_RNA)
where:
Base-Base interactions energy: -49.054
where: short stacking energy: -38.411
Base-Backbone interact. energy: -0.533
local terms energy: -57.977150
where:
bonds (distance) C4'-P energy: -13.755
bonds (distance) P-C4' energy: -18.653
flat angles C4'-P-C4' energy: -13.428
flat angles P-C4'-P energy: -5.474
tors. eta vs tors. theta energy: -6.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -111.345920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.345920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.345920 (E_RNA)
where:
Base-Base interactions energy: -51.819
where: short stacking energy: -36.044
Base-Backbone interact. energy: -0.291
local terms energy: -59.236155
where:
bonds (distance) C4'-P energy: -17.460
bonds (distance) P-C4' energy: -20.231
flat angles C4'-P-C4' energy: -9.390
flat angles P-C4'-P energy: -10.066
tors. eta vs tors. theta energy: -2.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -114.812059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.812059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.812059 (E_RNA)
where:
Base-Base interactions energy: -47.441
where: short stacking energy: -46.536
Base-Backbone interact. energy: -0.108
local terms energy: -67.263243
where:
bonds (distance) C4'-P energy: -13.020
bonds (distance) P-C4' energy: -21.576
flat angles C4'-P-C4' energy: -13.265
flat angles P-C4'-P energy: -10.061
tors. eta vs tors. theta energy: -9.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -102.324310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.324310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.324310 (E_RNA)
where:
Base-Base interactions energy: -37.903
where: short stacking energy: -36.116
Base-Backbone interact. energy: -0.489
local terms energy: -63.932574
where:
bonds (distance) C4'-P energy: -15.511
bonds (distance) P-C4' energy: -18.009
flat angles C4'-P-C4' energy: -17.055
flat angles P-C4'-P energy: -8.003
tors. eta vs tors. theta energy: -5.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -337.029803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.029803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.029803 (E_RNA)
where:
Base-Base interactions energy: -225.691
where: short stacking energy: -101.890
Base-Backbone interact. energy: -1.264
local terms energy: -110.073879
where:
bonds (distance) C4'-P energy: -19.326
bonds (distance) P-C4' energy: -22.871
flat angles C4'-P-C4' energy: -20.661
flat angles P-C4'-P energy: -17.726
tors. eta vs tors. theta energy: -29.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -328.152732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.152732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.152732 (E_RNA)
where:
Base-Base interactions energy: -234.098
where: short stacking energy: -95.079
Base-Backbone interact. energy: -0.246
local terms energy: -93.808459
where:
bonds (distance) C4'-P energy: -20.468
bonds (distance) P-C4' energy: -10.681
flat angles C4'-P-C4' energy: -19.704
flat angles P-C4'-P energy: -14.333
tors. eta vs tors. theta energy: -28.623
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: 3, replica: 6
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -304.551860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.551860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.551860 (E_RNA)
where:
Base-Base interactions energy: -203.610
where: short stacking energy: -94.142
Base-Backbone interact. energy: -0.041
local terms energy: -100.901511
where:
bonds (distance) C4'-P energy: -16.933
bonds (distance) P-C4' energy: -20.353
flat angles C4'-P-C4' energy: -20.690
flat angles P-C4'-P energy: -13.152
tors. eta vs tors. theta energy: -29.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -281.525540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.525540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.525540 (E_RNA)
where:
Base-Base interactions energy: -196.740
where: short stacking energy: -71.361
Base-Backbone interact. energy: 0.764
local terms energy: -85.549681
where:
bonds (distance) C4'-P energy: -19.139
bonds (distance) P-C4' energy: -23.465
flat angles C4'-P-C4' energy: -13.220
flat angles P-C4'-P energy: -11.341
tors. eta vs tors. theta energy: -18.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -268.507801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.507801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.507801 (E_RNA)
where:
Base-Base interactions energy: -185.259
where: short stacking energy: -71.024
Base-Backbone interact. energy: 0.558
local terms energy: -83.806905
where:
bonds (distance) C4'-P energy: -16.544
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -18.680
flat angles P-C4'-P energy: -16.134
tors. eta vs tors. theta energy: -17.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -223.624532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.624532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.624532 (E_RNA)
where:
Base-Base interactions energy: -142.332
where: short stacking energy: -72.138
Base-Backbone interact. energy: -0.367
local terms energy: -80.924967
where:
bonds (distance) C4'-P energy: -18.560
bonds (distance) P-C4' energy: -19.160
flat angles C4'-P-C4' energy: -17.740
flat angles P-C4'-P energy: -10.428
tors. eta vs tors. theta energy: -15.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -156.510086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.510086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.510086 (E_RNA)
where:
Base-Base interactions energy: -75.060
where: short stacking energy: -51.112
Base-Backbone interact. energy: -0.100
local terms energy: -81.349635
where:
bonds (distance) C4'-P energy: -18.613
bonds (distance) P-C4' energy: -23.049
flat angles C4'-P-C4' energy: -18.693
flat angles P-C4'-P energy: -9.189
tors. eta vs tors. theta energy: -11.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -107.678566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.678566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.678566 (E_RNA)
where:
Base-Base interactions energy: -31.712
where: short stacking energy: -31.712
Base-Backbone interact. energy: -0.288
local terms energy: -75.678226
where:
bonds (distance) C4'-P energy: -17.786
bonds (distance) P-C4' energy: -19.231
flat angles C4'-P-C4' energy: -20.731
flat angles P-C4'-P energy: -13.621
tors. eta vs tors. theta energy: -4.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -109.585577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.585577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.585577 (E_RNA)
where:
Base-Base interactions energy: -45.515
where: short stacking energy: -25.247
Base-Backbone interact. energy: 0.136
local terms energy: -64.206451
where:
bonds (distance) C4'-P energy: -15.523
bonds (distance) P-C4' energy: -23.044
flat angles C4'-P-C4' energy: -15.011
flat angles P-C4'-P energy: -11.087
tors. eta vs tors. theta energy: 0.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -96.440642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.440642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.440642 (E_RNA)
where:
Base-Base interactions energy: -39.030
where: short stacking energy: -19.008
Base-Backbone interact. energy: 1.520
local terms energy: -58.930847
where:
bonds (distance) C4'-P energy: -19.714
bonds (distance) P-C4' energy: -14.026
flat angles C4'-P-C4' energy: -21.245
flat angles P-C4'-P energy: -5.693
tors. eta vs tors. theta energy: 1.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -329.711208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.711208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.711208 (E_RNA)
where:
Base-Base interactions energy: -223.041
where: short stacking energy: -95.797
Base-Backbone interact. energy: -0.093
local terms energy: -106.576995
where:
bonds (distance) C4'-P energy: -19.867
bonds (distance) P-C4' energy: -22.647
flat angles C4'-P-C4' energy: -23.473
flat angles P-C4'-P energy: -14.599
tors. eta vs tors. theta energy: -25.992
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: 2
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -324.584416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.584416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.584416 (E_RNA)
where:
Base-Base interactions energy: -221.836
where: short stacking energy: -101.141
Base-Backbone interact. energy: -0.188
local terms energy: -102.560481
where:
bonds (distance) C4'-P energy: -20.008
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -22.644
flat angles P-C4'-P energy: -14.498
tors. eta vs tors. theta energy: -29.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -288.400886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.400886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.400886 (E_RNA)
where:
Base-Base interactions energy: -188.114
where: short stacking energy: -83.640
Base-Backbone interact. energy: -0.572
local terms energy: -99.714780
where:
bonds (distance) C4'-P energy: -20.671
bonds (distance) P-C4' energy: -19.545
flat angles C4'-P-C4' energy: -18.746
flat angles P-C4'-P energy: -16.402
tors. eta vs tors. theta energy: -24.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -298.107233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.107233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.107233 (E_RNA)
where:
Base-Base interactions energy: -196.446
where: short stacking energy: -86.975
Base-Backbone interact. energy: -0.451
local terms energy: -101.210297
where:
bonds (distance) C4'-P energy: -20.617
bonds (distance) P-C4' energy: -21.782
flat angles C4'-P-C4' energy: -18.287
flat angles P-C4'-P energy: -10.994
tors. eta vs tors. theta energy: -29.531
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: 8
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -252.274480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.274480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.274480 (E_RNA)
where:
Base-Base interactions energy: -170.368
where: short stacking energy: -79.666
Base-Backbone interact. energy: -0.408
local terms energy: -81.498021
where:
bonds (distance) C4'-P energy: -15.420
bonds (distance) P-C4' energy: -15.079
flat angles C4'-P-C4' energy: -22.205
flat angles P-C4'-P energy: -12.189
tors. eta vs tors. theta energy: -16.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -235.338295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.338295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.338295 (E_RNA)
where:
Base-Base interactions energy: -143.967
where: short stacking energy: -79.788
Base-Backbone interact. energy: -0.394
local terms energy: -90.977205
where:
bonds (distance) C4'-P energy: -20.551
bonds (distance) P-C4' energy: -19.560
flat angles C4'-P-C4' energy: -16.881
flat angles P-C4'-P energy: -8.834
tors. eta vs tors. theta energy: -25.152
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: 1
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -201.595301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.595301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.595301 (E_RNA)
where:
Base-Base interactions energy: -115.574
where: short stacking energy: -70.548
Base-Backbone interact. energy: 1.325
local terms energy: -87.345724
where:
bonds (distance) C4'-P energy: -19.299
bonds (distance) P-C4' energy: -19.702
flat angles C4'-P-C4' energy: -15.452
flat angles P-C4'-P energy: -13.139
tors. eta vs tors. theta energy: -19.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -111.356294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.356294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.356294 (E_RNA)
where:
Base-Base interactions energy: -41.430
where: short stacking energy: -28.187
Base-Backbone interact. energy: -0.134
local terms energy: -69.792254
where:
bonds (distance) C4'-P energy: -20.860
bonds (distance) P-C4' energy: -20.957
flat angles C4'-P-C4' energy: -16.978
flat angles P-C4'-P energy: -3.934
tors. eta vs tors. theta energy: -7.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -109.561273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.561273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.561273 (E_RNA)
where:
Base-Base interactions energy: -52.188
where: short stacking energy: -34.006
Base-Backbone interact. energy: -0.253
local terms energy: -57.120020
where:
bonds (distance) C4'-P energy: -18.308
bonds (distance) P-C4' energy: -15.241
flat angles C4'-P-C4' energy: -10.853
flat angles P-C4'-P energy: -11.819
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: 10
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -101.141764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.141764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.141764 (E_RNA)
where:
Base-Base interactions energy: -32.276
where: short stacking energy: -29.515
Base-Backbone interact. energy: -0.223
local terms energy: -68.642944
where:
bonds (distance) C4'-P energy: -13.616
bonds (distance) P-C4' energy: -21.951
flat angles C4'-P-C4' energy: -20.499
flat angles P-C4'-P energy: -7.070
tors. eta vs tors. theta energy: -5.508
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: 7
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -335.854068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.854068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.854068 (E_RNA)
where:
Base-Base interactions energy: -222.736
where: short stacking energy: -93.306
Base-Backbone interact. energy: -0.029
local terms energy: -113.089146
where:
bonds (distance) C4'-P energy: -23.180
bonds (distance) P-C4' energy: -26.253
flat angles C4'-P-C4' energy: -17.315
flat angles P-C4'-P energy: -18.083
tors. eta vs tors. theta energy: -28.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -305.031181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.031181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.031181 (E_RNA)
where:
Base-Base interactions energy: -213.481
where: short stacking energy: -78.068
Base-Backbone interact. energy: -0.038
local terms energy: -91.512515
where:
bonds (distance) C4'-P energy: -18.609
bonds (distance) P-C4' energy: -19.085
flat angles C4'-P-C4' energy: -18.280
flat angles P-C4'-P energy: -11.187
tors. eta vs tors. theta energy: -24.351
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: 2
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -320.333552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.333552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.333552 (E_RNA)
where:
Base-Base interactions energy: -220.143
where: short stacking energy: -97.641
Base-Backbone interact. energy: -0.169
local terms energy: -100.020725
where:
bonds (distance) C4'-P energy: -17.240
bonds (distance) P-C4' energy: -17.374
flat angles C4'-P-C4' energy: -21.372
flat angles P-C4'-P energy: -15.541
tors. eta vs tors. theta energy: -28.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -303.206457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.206457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.206457 (E_RNA)
where:
Base-Base interactions energy: -199.533
where: short stacking energy: -89.807
Base-Backbone interact. energy: -0.303
local terms energy: -103.370825
where:
bonds (distance) C4'-P energy: -20.348
bonds (distance) P-C4' energy: -19.139
flat angles C4'-P-C4' energy: -20.823
flat angles P-C4'-P energy: -13.512
tors. eta vs tors. theta energy: -29.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -269.943223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.943223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.943223 (E_RNA)
where:
Base-Base interactions energy: -190.078
where: short stacking energy: -79.531
Base-Backbone interact. energy: -0.058
local terms energy: -79.807110
where:
bonds (distance) C4'-P energy: -19.599
bonds (distance) P-C4' energy: -13.617
flat angles C4'-P-C4' energy: -18.440
flat angles P-C4'-P energy: -6.984
tors. eta vs tors. theta energy: -21.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -243.759127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.759127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.759127 (E_RNA)
where:
Base-Base interactions energy: -168.157
where: short stacking energy: -72.278
Base-Backbone interact. energy: -0.947
local terms energy: -74.655002
where:
bonds (distance) C4'-P energy: -11.729
bonds (distance) P-C4' energy: -14.153
flat angles C4'-P-C4' energy: -18.931
flat angles P-C4'-P energy: -11.337
tors. eta vs tors. theta energy: -18.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -183.565446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.565446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.565446 (E_RNA)
where:
Base-Base interactions energy: -101.478
where: short stacking energy: -53.538
Base-Backbone interact. energy: -0.247
local terms energy: -81.839923
where:
bonds (distance) C4'-P energy: -21.664
bonds (distance) P-C4' energy: -17.328
flat angles C4'-P-C4' energy: -19.646
flat angles P-C4'-P energy: -11.850
tors. eta vs tors. theta energy: -11.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -120.645916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.645916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.645916 (E_RNA)
where:
Base-Base interactions energy: -51.782
where: short stacking energy: -43.637
Base-Backbone interact. energy: -0.240
local terms energy: -68.624719
where:
bonds (distance) C4'-P energy: -19.669
bonds (distance) P-C4' energy: -18.938
flat angles C4'-P-C4' energy: -16.668
flat angles P-C4'-P energy: -9.294
tors. eta vs tors. theta energy: -4.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -93.840042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.840042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.840042 (E_RNA)
where:
Base-Base interactions energy: -28.469
where: short stacking energy: -18.123
Base-Backbone interact. energy: 1.589
local terms energy: -66.960250
where:
bonds (distance) C4'-P energy: -22.519
bonds (distance) P-C4' energy: -17.879
flat angles C4'-P-C4' energy: -13.976
flat angles P-C4'-P energy: -12.147
tors. eta vs tors. theta energy: -0.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -104.446175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.446175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.446175 (E_RNA)
where:
Base-Base interactions energy: -38.029
where: short stacking energy: -37.864
Base-Backbone interact. energy: -0.536
local terms energy: -65.881197
where:
bonds (distance) C4'-P energy: -12.068
bonds (distance) P-C4' energy: -20.245
flat angles C4'-P-C4' energy: -18.002
flat angles P-C4'-P energy: -9.741
tors. eta vs tors. theta energy: -5.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -333.616400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.616400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.616400 (E_RNA)
where:
Base-Base interactions energy: -237.488
where: short stacking energy: -93.433
Base-Backbone interact. energy: -0.095
local terms energy: -96.033684
where:
bonds (distance) C4'-P energy: -19.275
bonds (distance) P-C4' energy: -20.707
flat angles C4'-P-C4' energy: -20.477
flat angles P-C4'-P energy: -11.073
tors. eta vs tors. theta energy: -24.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -305.385029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.385029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.385029 (E_RNA)
where:
Base-Base interactions energy: -208.138
where: short stacking energy: -86.975
Base-Backbone interact. energy: -0.496
local terms energy: -96.751566
where:
bonds (distance) C4'-P energy: -17.483
bonds (distance) P-C4' energy: -19.122
flat angles C4'-P-C4' energy: -22.375
flat angles P-C4'-P energy: -13.932
tors. eta vs tors. theta energy: -23.841
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: 2
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -328.329706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.329706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.329706 (E_RNA)
where:
Base-Base interactions energy: -221.953
where: short stacking energy: -95.115
Base-Backbone interact. energy: -0.091
local terms energy: -106.285649
where:
bonds (distance) C4'-P energy: -23.197
bonds (distance) P-C4' energy: -17.796
flat angles C4'-P-C4' energy: -19.936
flat angles P-C4'-P energy: -15.486
tors. eta vs tors. theta energy: -29.870
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: 6
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -294.615585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.615585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.615585 (E_RNA)
where:
Base-Base interactions energy: -191.915
where: short stacking energy: -92.959
Base-Backbone interact. energy: -1.211
local terms energy: -101.489569
where:
bonds (distance) C4'-P energy: -19.971
bonds (distance) P-C4' energy: -19.425
flat angles C4'-P-C4' energy: -17.894
flat angles P-C4'-P energy: -14.980
tors. eta vs tors. theta energy: -29.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -266.485227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.485227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.485227 (E_RNA)
where:
Base-Base interactions energy: -175.661
where: short stacking energy: -75.791
Base-Backbone interact. energy: -0.131
local terms energy: -90.692788
where:
bonds (distance) C4'-P energy: -15.352
bonds (distance) P-C4' energy: -20.465
flat angles C4'-P-C4' energy: -21.674
flat angles P-C4'-P energy: -14.243
tors. eta vs tors. theta energy: -18.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -229.569721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.569721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.569721 (E_RNA)
where:
Base-Base interactions energy: -148.795
where: short stacking energy: -64.000
Base-Backbone interact. energy: -0.088
local terms energy: -80.687095
where:
bonds (distance) C4'-P energy: -17.449
bonds (distance) P-C4' energy: -17.070
flat angles C4'-P-C4' energy: -15.541
flat angles P-C4'-P energy: -15.396
tors. eta vs tors. theta energy: -15.230
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: 5
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -127.625473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.625473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.625473 (E_RNA)
where:
Base-Base interactions energy: -55.923
where: short stacking energy: -46.492
Base-Backbone interact. energy: -0.393
local terms energy: -71.309775
where:
bonds (distance) C4'-P energy: -18.075
bonds (distance) P-C4' energy: -19.438
flat angles C4'-P-C4' energy: -13.713
flat angles P-C4'-P energy: -13.889
tors. eta vs tors. theta energy: -6.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -122.410828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.410828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.410828 (E_RNA)
where:
Base-Base interactions energy: -58.161
where: short stacking energy: -23.996
Base-Backbone interact. energy: -1.178
local terms energy: -63.071575
where:
bonds (distance) C4'-P energy: -18.354
bonds (distance) P-C4' energy: -18.519
flat angles C4'-P-C4' energy: -20.269
flat angles P-C4'-P energy: -9.108
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: 9, replica: 10
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -114.001360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.001360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.001360 (E_RNA)
where:
Base-Base interactions energy: -44.561
where: short stacking energy: -34.845
Base-Backbone interact. energy: 1.396
local terms energy: -70.836186
where:
bonds (distance) C4'-P energy: -14.709
bonds (distance) P-C4' energy: -20.450
flat angles C4'-P-C4' energy: -19.510
flat angles P-C4'-P energy: -6.511
tors. eta vs tors. theta energy: -9.655
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: 9
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -105.284963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.284963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.284963 (E_RNA)
where:
Base-Base interactions energy: -43.360
where: short stacking energy: -32.996
Base-Backbone interact. energy: -0.219
local terms energy: -61.705791
where:
bonds (distance) C4'-P energy: -15.703
bonds (distance) P-C4' energy: -16.714
flat angles C4'-P-C4' energy: -14.880
flat angles P-C4'-P energy: -6.978
tors. eta vs tors. theta energy: -7.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -338.562153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.562153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.562153 (E_RNA)
where:
Base-Base interactions energy: -229.570
where: short stacking energy: -95.571
Base-Backbone interact. energy: -0.138
local terms energy: -108.854583
where:
bonds (distance) C4'-P energy: -18.912
bonds (distance) P-C4' energy: -22.295
flat angles C4'-P-C4' energy: -23.871
flat angles P-C4'-P energy: -16.028
tors. eta vs tors. theta energy: -27.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -326.102163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.102163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.102163 (E_RNA)
where:
Base-Base interactions energy: -218.833
where: short stacking energy: -96.735
Base-Backbone interact. energy: -0.407
local terms energy: -106.861833
where:
bonds (distance) C4'-P energy: -21.193
bonds (distance) P-C4' energy: -21.200
flat angles C4'-P-C4' energy: -19.561
flat angles P-C4'-P energy: -14.823
tors. eta vs tors. theta energy: -30.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -293.896467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.896467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.896467 (E_RNA)
where:
Base-Base interactions energy: -193.242
where: short stacking energy: -75.576
Base-Backbone interact. energy: -1.928
local terms energy: -98.727086
where:
bonds (distance) C4'-P energy: -20.895
bonds (distance) P-C4' energy: -22.560
flat angles C4'-P-C4' energy: -18.342
flat angles P-C4'-P energy: -14.375
tors. eta vs tors. theta energy: -22.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -273.802451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.802451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.802451 (E_RNA)
where:
Base-Base interactions energy: -178.965
where: short stacking energy: -83.986
Base-Backbone interact. energy: -0.722
local terms energy: -94.116257
where:
bonds (distance) C4'-P energy: -22.137
bonds (distance) P-C4' energy: -17.625
flat angles C4'-P-C4' energy: -18.658
flat angles P-C4'-P energy: -12.560
tors. eta vs tors. theta energy: -23.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -292.772188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.772188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.772188 (E_RNA)
where:
Base-Base interactions energy: -192.439
where: short stacking energy: -95.662
Base-Backbone interact. energy: -0.852
local terms energy: -99.480867
where:
bonds (distance) C4'-P energy: -22.327
bonds (distance) P-C4' energy: -20.455
flat angles C4'-P-C4' energy: -16.376
flat angles P-C4'-P energy: -12.131
tors. eta vs tors. theta energy: -28.192
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: 4
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -242.386491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.386491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.386491 (E_RNA)
where:
Base-Base interactions energy: -153.286
where: short stacking energy: -70.299
Base-Backbone interact. energy: -0.965
local terms energy: -88.136047
where:
bonds (distance) C4'-P energy: -14.990
bonds (distance) P-C4' energy: -21.893
flat angles C4'-P-C4' energy: -20.574
flat angles P-C4'-P energy: -14.929
tors. eta vs tors. theta energy: -15.751
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: 5
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -132.381798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.381798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.381798 (E_RNA)
where:
Base-Base interactions energy: -47.883
where: short stacking energy: -47.585
Base-Backbone interact. energy: -0.040
local terms energy: -84.459454
where:
bonds (distance) C4'-P energy: -21.258
bonds (distance) P-C4' energy: -21.440
flat angles C4'-P-C4' energy: -16.864
flat angles P-C4'-P energy: -13.212
tors. eta vs tors. theta energy: -11.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -155.292717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.292717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.292717 (E_RNA)
where:
Base-Base interactions energy: -93.355
where: short stacking energy: -46.870
Base-Backbone interact. energy: -0.160
local terms energy: -61.777977
where:
bonds (distance) C4'-P energy: -12.871
bonds (distance) P-C4' energy: -18.123
flat angles C4'-P-C4' energy: -12.743
flat angles P-C4'-P energy: -13.725
tors. eta vs tors. theta energy: -4.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -102.994951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.994951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.994951 (E_RNA)
where:
Base-Base interactions energy: -47.864
where: short stacking energy: -30.506
Base-Backbone interact. energy: -0.050
local terms energy: -55.081498
where:
bonds (distance) C4'-P energy: -18.235
bonds (distance) P-C4' energy: -16.728
flat angles C4'-P-C4' energy: -11.924
flat angles P-C4'-P energy: -6.289
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: 10, replica: 9
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -118.908352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.908352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.908352 (E_RNA)
where:
Base-Base interactions energy: -59.106
where: short stacking energy: -54.019
Base-Backbone interact. energy: -0.028
local terms energy: -59.773551
where:
bonds (distance) C4'-P energy: -18.788
bonds (distance) P-C4' energy: -17.367
flat angles C4'-P-C4' energy: -9.262
flat angles P-C4'-P energy: -5.580
tors. eta vs tors. theta energy: -8.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -333.226544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.226544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.226544 (E_RNA)
where:
Base-Base interactions energy: -227.702
where: short stacking energy: -101.327
Base-Backbone interact. energy: -0.780
local terms energy: -104.744128
where:
bonds (distance) C4'-P energy: -17.778
bonds (distance) P-C4' energy: -22.701
flat angles C4'-P-C4' energy: -23.982
flat angles P-C4'-P energy: -12.242
tors. eta vs tors. theta energy: -28.040
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: 68
Temperature: 0.950000
Total energy: -327.685493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.685493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.685493 (E_RNA)
where:
Base-Base interactions energy: -225.523
where: short stacking energy: -91.416
Base-Backbone interact. energy: 0.396
local terms energy: -102.558201
where:
bonds (distance) C4'-P energy: -20.985
bonds (distance) P-C4' energy: -20.362
flat angles C4'-P-C4' energy: -23.607
flat angles P-C4'-P energy: -12.564
tors. eta vs tors. theta energy: -25.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -284.510100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.510100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.510100 (E_RNA)
where:
Base-Base interactions energy: -195.958
where: short stacking energy: -81.096
Base-Backbone interact. energy: -0.137
local terms energy: -88.415393
where:
bonds (distance) C4'-P energy: -14.899
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -17.396
flat angles P-C4'-P energy: -16.046
tors. eta vs tors. theta energy: -22.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -293.982580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.982580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.982580 (E_RNA)
where:
Base-Base interactions energy: -207.695
where: short stacking energy: -89.037
Base-Backbone interact. energy: 0.030
local terms energy: -86.317801
where:
bonds (distance) C4'-P energy: -20.572
bonds (distance) P-C4' energy: -18.344
flat angles C4'-P-C4' energy: -16.107
flat angles P-C4'-P energy: -9.204
tors. eta vs tors. theta energy: -22.090
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: 6
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -284.851719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.851719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.851719 (E_RNA)
where:
Base-Base interactions energy: -188.868
where: short stacking energy: -84.619
Base-Backbone interact. energy: -0.006
local terms energy: -95.977853
where:
bonds (distance) C4'-P energy: -19.698
bonds (distance) P-C4' energy: -20.740
flat angles C4'-P-C4' energy: -20.781
flat angles P-C4'-P energy: -9.377
tors. eta vs tors. theta energy: -25.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -220.516549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.516549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.516549 (E_RNA)
where:
Base-Base interactions energy: -133.530
where: short stacking energy: -66.772
Base-Backbone interact. energy: -0.684
local terms energy: -86.301817
where:
bonds (distance) C4'-P energy: -19.319
bonds (distance) P-C4' energy: -21.816
flat angles C4'-P-C4' energy: -18.242
flat angles P-C4'-P energy: -9.765
tors. eta vs tors. theta energy: -17.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -169.279736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.279736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.279736 (E_RNA)
where:
Base-Base interactions energy: -95.062
where: short stacking energy: -43.275
Base-Backbone interact. energy: -0.929
local terms energy: -73.289034
where:
bonds (distance) C4'-P energy: -17.706
bonds (distance) P-C4' energy: -17.343
flat angles C4'-P-C4' energy: -16.761
flat angles P-C4'-P energy: -12.181
tors. eta vs tors. theta energy: -9.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -114.558367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.558367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.558367 (E_RNA)
where:
Base-Base interactions energy: -54.184
where: short stacking energy: -20.734
Base-Backbone interact. energy: -0.738
local terms energy: -59.636352
where:
bonds (distance) C4'-P energy: -15.413
bonds (distance) P-C4' energy: -13.748
flat angles C4'-P-C4' energy: -13.439
flat angles P-C4'-P energy: -16.079
tors. eta vs tors. theta energy: -0.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -110.311986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.311986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.311986 (E_RNA)
where:
Base-Base interactions energy: -43.196
where: short stacking energy: -39.894
Base-Backbone interact. energy: -0.369
local terms energy: -66.746801
where:
bonds (distance) C4'-P energy: -16.310
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -13.367
flat angles P-C4'-P energy: -11.677
tors. eta vs tors. theta energy: -6.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -101.943365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.943365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.943365 (E_RNA)
where:
Base-Base interactions energy: -39.329
where: short stacking energy: -39.329
Base-Backbone interact. energy: -0.293
local terms energy: -62.320958
where:
bonds (distance) C4'-P energy: -14.386
bonds (distance) P-C4' energy: -19.848
flat angles C4'-P-C4' energy: -13.038
flat angles P-C4'-P energy: -10.395
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: 1, replica: 7
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -332.803179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.803179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.803179 (E_RNA)
where:
Base-Base interactions energy: -233.388
where: short stacking energy: -95.528
Base-Backbone interact. energy: 0.440
local terms energy: -99.854522
where:
bonds (distance) C4'-P energy: -20.862
bonds (distance) P-C4' energy: -20.803
flat angles C4'-P-C4' energy: -20.549
flat angles P-C4'-P energy: -12.694
tors. eta vs tors. theta energy: -24.947
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: 2
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -327.882884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.882884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.882884 (E_RNA)
where:
Base-Base interactions energy: -223.514
where: short stacking energy: -103.660
Base-Backbone interact. energy: -0.109
local terms energy: -104.259435
where:
bonds (distance) C4'-P energy: -19.475
bonds (distance) P-C4' energy: -19.685
flat angles C4'-P-C4' energy: -23.402
flat angles P-C4'-P energy: -10.204
tors. eta vs tors. theta energy: -31.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -285.644632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.644632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.644632 (E_RNA)
where:
Base-Base interactions energy: -191.238
where: short stacking energy: -84.438
Base-Backbone interact. energy: -0.544
local terms energy: -93.863180
where:
bonds (distance) C4'-P energy: -19.097
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -21.505
flat angles P-C4'-P energy: -13.819
tors. eta vs tors. theta energy: -21.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -291.068677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.068677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.068677 (E_RNA)
where:
Base-Base interactions energy: -191.100
where: short stacking energy: -88.993
Base-Backbone interact. energy: -0.052
local terms energy: -99.916721
where:
bonds (distance) C4'-P energy: -17.858
bonds (distance) P-C4' energy: -20.767
flat angles C4'-P-C4' energy: -22.751
flat angles P-C4'-P energy: -10.532
tors. eta vs tors. theta energy: -28.009
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: 3
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -280.685042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.685042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.685042 (E_RNA)
where:
Base-Base interactions energy: -193.891
where: short stacking energy: -79.008
Base-Backbone interact. energy: -0.434
local terms energy: -86.360111
where:
bonds (distance) C4'-P energy: -15.476
bonds (distance) P-C4' energy: -17.609
flat angles C4'-P-C4' energy: -21.877
flat angles P-C4'-P energy: -9.926
tors. eta vs tors. theta energy: -21.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -192.633743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.633743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.633743 (E_RNA)
where:
Base-Base interactions energy: -126.724
where: short stacking energy: -56.900
Base-Backbone interact. energy: 0.619
local terms energy: -66.529102
where:
bonds (distance) C4'-P energy: -16.868
bonds (distance) P-C4' energy: -19.332
flat angles C4'-P-C4' energy: -16.886
flat angles P-C4'-P energy: -7.272
tors. eta vs tors. theta energy: -6.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -170.856620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.856620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.856620 (E_RNA)
where:
Base-Base interactions energy: -96.340
where: short stacking energy: -46.258
Base-Backbone interact. energy: -0.223
local terms energy: -74.293522
where:
bonds (distance) C4'-P energy: -23.763
bonds (distance) P-C4' energy: -19.204
flat angles C4'-P-C4' energy: -12.846
flat angles P-C4'-P energy: -10.378
tors. eta vs tors. theta energy: -8.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -136.759612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.759612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.759612 (E_RNA)
where:
Base-Base interactions energy: -59.350
where: short stacking energy: -58.725
Base-Backbone interact. energy: -0.051
local terms energy: -77.359030
where:
bonds (distance) C4'-P energy: -16.660
bonds (distance) P-C4' energy: -20.386
flat angles C4'-P-C4' energy: -16.782
flat angles P-C4'-P energy: -12.516
tors. eta vs tors. theta energy: -11.014
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: 69
Temperature: 1.300000
Total energy: -133.510032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.510032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.510032 (E_RNA)
where:
Base-Base interactions energy: -70.548
where: short stacking energy: -35.560
Base-Backbone interact. energy: -2.195
local terms energy: -60.767322
where:
bonds (distance) C4'-P energy: -16.690
bonds (distance) P-C4' energy: -12.871
flat angles C4'-P-C4' energy: -17.148
flat angles P-C4'-P energy: -12.137
tors. eta vs tors. theta energy: -1.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -98.176802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.176802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.176802 (E_RNA)
where:
Base-Base interactions energy: -35.683
where: short stacking energy: -23.083
Base-Backbone interact. energy: -0.268
local terms energy: -62.225535
where:
bonds (distance) C4'-P energy: -17.160
bonds (distance) P-C4' energy: -21.162
flat angles C4'-P-C4' energy: -17.301
flat angles P-C4'-P energy: -8.725
tors. eta vs tors. theta energy: 2.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -335.791126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.791126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.791126 (E_RNA)
where:
Base-Base interactions energy: -232.328
where: short stacking energy: -94.218
Base-Backbone interact. energy: -0.631
local terms energy: -102.832167
where:
bonds (distance) C4'-P energy: -23.593
bonds (distance) P-C4' energy: -21.219
flat angles C4'-P-C4' energy: -22.661
flat angles P-C4'-P energy: -10.394
tors. eta vs tors. theta energy: -24.964
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: 2
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -324.093635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.093635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.093635 (E_RNA)
where:
Base-Base interactions energy: -219.922
where: short stacking energy: -93.768
Base-Backbone interact. energy: -0.499
local terms energy: -103.672782
where:
bonds (distance) C4'-P energy: -15.905
bonds (distance) P-C4' energy: -21.803
flat angles C4'-P-C4' energy: -21.148
flat angles P-C4'-P energy: -16.527
tors. eta vs tors. theta energy: -28.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -297.473432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.473432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.473432 (E_RNA)
where:
Base-Base interactions energy: -198.667
where: short stacking energy: -99.539
Base-Backbone interact. energy: -0.918
local terms energy: -97.888546
where:
bonds (distance) C4'-P energy: -15.595
bonds (distance) P-C4' energy: -21.044
flat angles C4'-P-C4' energy: -20.797
flat angles P-C4'-P energy: -11.873
tors. eta vs tors. theta energy: -28.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -306.655940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.655940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.655940 (E_RNA)
where:
Base-Base interactions energy: -214.246
where: short stacking energy: -83.360
Base-Backbone interact. energy: -0.104
local terms energy: -92.306102
where:
bonds (distance) C4'-P energy: -17.236
bonds (distance) P-C4' energy: -23.042
flat angles C4'-P-C4' energy: -21.027
flat angles P-C4'-P energy: -10.959
tors. eta vs tors. theta energy: -20.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -280.616058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.616058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.616058 (E_RNA)
where:
Base-Base interactions energy: -192.337
where: short stacking energy: -76.447
Base-Backbone interact. energy: -0.090
local terms energy: -88.189459
where:
bonds (distance) C4'-P energy: -12.445
bonds (distance) P-C4' energy: -20.012
flat angles C4'-P-C4' energy: -19.672
flat angles P-C4'-P energy: -12.462
tors. eta vs tors. theta energy: -23.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -182.410000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.410000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.410000 (E_RNA)
where:
Base-Base interactions energy: -102.731
where: short stacking energy: -60.528
Base-Backbone interact. energy: 1.422
local terms energy: -81.101665
where:
bonds (distance) C4'-P energy: -19.233
bonds (distance) P-C4' energy: -19.005
flat angles C4'-P-C4' energy: -17.923
flat angles P-C4'-P energy: -14.260
tors. eta vs tors. theta energy: -10.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -205.897481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.897481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.897481 (E_RNA)
where:
Base-Base interactions energy: -125.360
where: short stacking energy: -53.845
Base-Backbone interact. energy: 0.267
local terms energy: -80.804403
where:
bonds (distance) C4'-P energy: -12.233
bonds (distance) P-C4' energy: -20.307
flat angles C4'-P-C4' energy: -19.489
flat angles P-C4'-P energy: -13.537
tors. eta vs tors. theta energy: -15.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -118.056359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.056359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.056359 (E_RNA)
where:
Base-Base interactions energy: -51.990
where: short stacking energy: -41.919
Base-Backbone interact. energy: -0.412
local terms energy: -65.654440
where:
bonds (distance) C4'-P energy: -19.710
bonds (distance) P-C4' energy: -24.131
flat angles C4'-P-C4' energy: -16.995
flat angles P-C4'-P energy: -6.580
tors. eta vs tors. theta energy: 1.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -101.170331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.170331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.170331 (E_RNA)
where:
Base-Base interactions energy: -34.153
where: short stacking energy: -34.153
Base-Backbone interact. energy: -1.061
local terms energy: -65.956316
where:
bonds (distance) C4'-P energy: -19.495
bonds (distance) P-C4' energy: -18.811
flat angles C4'-P-C4' energy: -13.296
flat angles P-C4'-P energy: -13.399
tors. eta vs tors. theta energy: -0.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -104.927789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.927789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.927789 (E_RNA)
where:
Base-Base interactions energy: -43.441
where: short stacking energy: -19.877
Base-Backbone interact. energy: -0.570
local terms energy: -60.916765
where:
bonds (distance) C4'-P energy: -12.300
bonds (distance) P-C4' energy: -19.301
flat angles C4'-P-C4' energy: -17.806
flat angles P-C4'-P energy: -12.308
tors. eta vs tors. theta energy: 0.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -335.744121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.744121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.744121 (E_RNA)
where:
Base-Base interactions energy: -235.059
where: short stacking energy: -97.141
Base-Backbone interact. energy: -0.101
local terms energy: -100.584263
where:
bonds (distance) C4'-P energy: -22.041
bonds (distance) P-C4' energy: -17.734
flat angles C4'-P-C4' energy: -20.905
flat angles P-C4'-P energy: -15.261
tors. eta vs tors. theta energy: -24.643
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: 2
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -327.621766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.621766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.621766 (E_RNA)
where:
Base-Base interactions energy: -221.076
where: short stacking energy: -92.326
Base-Backbone interact. energy: -0.385
local terms energy: -106.160059
where:
bonds (distance) C4'-P energy: -19.680
bonds (distance) P-C4' energy: -21.383
flat angles C4'-P-C4' energy: -20.790
flat angles P-C4'-P energy: -16.671
tors. eta vs tors. theta energy: -27.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -303.371806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.371806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.371806 (E_RNA)
where:
Base-Base interactions energy: -194.321
where: short stacking energy: -84.889
Base-Backbone interact. energy: -0.116
local terms energy: -108.934530
where:
bonds (distance) C4'-P energy: -21.384
bonds (distance) P-C4' energy: -21.296
flat angles C4'-P-C4' energy: -21.756
flat angles P-C4'-P energy: -15.486
tors. eta vs tors. theta energy: -29.013
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: 4, replica: 3
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -293.883192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.883192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.883192 (E_RNA)
where:
Base-Base interactions energy: -191.657
where: short stacking energy: -89.311
Base-Backbone interact. energy: 0.657
local terms energy: -102.882779
where:
bonds (distance) C4'-P energy: -18.519
bonds (distance) P-C4' energy: -23.333
flat angles C4'-P-C4' energy: -22.951
flat angles P-C4'-P energy: -10.220
tors. eta vs tors. theta energy: -27.859
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: 8
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -299.828936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.828936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.828936 (E_RNA)
where:
Base-Base interactions energy: -214.255
where: short stacking energy: -79.744
Base-Backbone interact. energy: -0.285
local terms energy: -85.288942
where:
bonds (distance) C4'-P energy: -21.713
bonds (distance) P-C4' energy: -15.778
flat angles C4'-P-C4' energy: -20.055
flat angles P-C4'-P energy: -8.022
tors. eta vs tors. theta energy: -19.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -188.892520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.892520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.892520 (E_RNA)
where:
Base-Base interactions energy: -100.839
where: short stacking energy: -65.913
Base-Backbone interact. energy: -0.075
local terms energy: -87.978794
where:
bonds (distance) C4'-P energy: -17.088
bonds (distance) P-C4' energy: -18.821
flat angles C4'-P-C4' energy: -22.297
flat angles P-C4'-P energy: -13.399
tors. eta vs tors. theta energy: -16.374
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: 10
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -182.821817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.821817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.821817 (E_RNA)
where:
Base-Base interactions energy: -102.976
where: short stacking energy: -47.846
Base-Backbone interact. energy: 1.132
local terms energy: -80.977830
where:
bonds (distance) C4'-P energy: -8.842
bonds (distance) P-C4' energy: -22.871
flat angles C4'-P-C4' energy: -22.178
flat angles P-C4'-P energy: -14.428
tors. eta vs tors. theta energy: -12.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -128.347178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.347178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.347178 (E_RNA)
where:
Base-Base interactions energy: -45.972
where: short stacking energy: -41.522
Base-Backbone interact. energy: -0.223
local terms energy: -82.152619
where:
bonds (distance) C4'-P energy: -21.606
bonds (distance) P-C4' energy: -22.899
flat angles C4'-P-C4' energy: -18.954
flat angles P-C4'-P energy: -8.401
tors. eta vs tors. theta energy: -10.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -111.877336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.877336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.877336 (E_RNA)
where:
Base-Base interactions energy: -46.299
where: short stacking energy: -36.782
Base-Backbone interact. energy: -0.096
local terms energy: -65.481820
where:
bonds (distance) C4'-P energy: -17.652
bonds (distance) P-C4' energy: -18.933
flat angles C4'-P-C4' energy: -16.141
flat angles P-C4'-P energy: -8.657
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: 5
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -107.290679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.290679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.290679 (E_RNA)
where:
Base-Base interactions energy: -40.857
where: short stacking energy: -25.243
Base-Backbone interact. energy: -0.286
local terms energy: -66.148260
where:
bonds (distance) C4'-P energy: -21.465
bonds (distance) P-C4' energy: -20.870
flat angles C4'-P-C4' energy: -18.346
flat angles P-C4'-P energy: -7.043
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: 1, replica: 7
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -326.812743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.812743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.812743 (E_RNA)
where:
Base-Base interactions energy: -225.716
where: short stacking energy: -89.902
Base-Backbone interact. energy: -0.664
local terms energy: -100.433172
where:
bonds (distance) C4'-P energy: -14.895
bonds (distance) P-C4' energy: -23.759
flat angles C4'-P-C4' energy: -24.513
flat angles P-C4'-P energy: -15.653
tors. eta vs tors. theta energy: -21.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -317.098607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.098607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.098607 (E_RNA)
where:
Base-Base interactions energy: -222.121
where: short stacking energy: -95.501
Base-Backbone interact. energy: 0.797
local terms energy: -95.774538
where:
bonds (distance) C4'-P energy: -16.638
bonds (distance) P-C4' energy: -19.439
flat angles C4'-P-C4' energy: -20.018
flat angles P-C4'-P energy: -11.736
tors. eta vs tors. theta energy: -27.943
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: 3
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -278.801756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.801756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.801756 (E_RNA)
where:
Base-Base interactions energy: -186.755
where: short stacking energy: -73.553
Base-Backbone interact. energy: -0.057
local terms energy: -91.989999
where:
bonds (distance) C4'-P energy: -21.756
bonds (distance) P-C4' energy: -14.284
flat angles C4'-P-C4' energy: -21.025
flat angles P-C4'-P energy: -16.380
tors. eta vs tors. theta energy: -18.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -308.048800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.048800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.048800 (E_RNA)
where:
Base-Base interactions energy: -198.263
where: short stacking energy: -94.400
Base-Backbone interact. energy: -0.004
local terms energy: -109.780878
where:
bonds (distance) C4'-P energy: -19.447
bonds (distance) P-C4' energy: -21.577
flat angles C4'-P-C4' energy: -23.611
flat angles P-C4'-P energy: -17.237
tors. eta vs tors. theta energy: -27.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -282.893359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.893359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.893359 (E_RNA)
where:
Base-Base interactions energy: -202.771
where: short stacking energy: -74.639
Base-Backbone interact. energy: 0.422
local terms energy: -80.544047
where:
bonds (distance) C4'-P energy: -18.807
bonds (distance) P-C4' energy: -18.260
flat angles C4'-P-C4' energy: -21.700
flat angles P-C4'-P energy: -6.873
tors. eta vs tors. theta energy: -14.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -209.186833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.186833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.186833 (E_RNA)
where:
Base-Base interactions energy: -131.055
where: short stacking energy: -65.387
Base-Backbone interact. energy: -0.064
local terms energy: -78.067384
where:
bonds (distance) C4'-P energy: -21.215
bonds (distance) P-C4' energy: -12.676
flat angles C4'-P-C4' energy: -18.964
flat angles P-C4'-P energy: -10.551
tors. eta vs tors. theta energy: -14.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -221.913042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.913042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.913042 (E_RNA)
where:
Base-Base interactions energy: -140.439
where: short stacking energy: -67.206
Base-Backbone interact. energy: -0.088
local terms energy: -81.386058
where:
bonds (distance) C4'-P energy: -18.119
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -14.994
flat angles P-C4'-P energy: -15.653
tors. eta vs tors. theta energy: -15.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -120.604557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.604557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.604557 (E_RNA)
where:
Base-Base interactions energy: -58.421
where: short stacking energy: -32.386
Base-Backbone interact. energy: -0.688
local terms energy: -61.495879
where:
bonds (distance) C4'-P energy: -19.511
bonds (distance) P-C4' energy: -18.570
flat angles C4'-P-C4' energy: -17.718
flat angles P-C4'-P energy: -6.674
tors. eta vs tors. theta energy: 0.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -106.201798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.201798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.201798 (E_RNA)
where:
Base-Base interactions energy: -44.862
where: short stacking energy: -31.813
Base-Backbone interact. energy: -0.947
local terms energy: -60.393155
where:
bonds (distance) C4'-P energy: -14.560
bonds (distance) P-C4' energy: -16.374
flat angles C4'-P-C4' energy: -17.216
flat angles P-C4'-P energy: -10.150
tors. eta vs tors. theta energy: -2.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -110.089573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.089573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.089573 (E_RNA)
where:
Base-Base interactions energy: -42.424
where: short stacking energy: -42.824
Base-Backbone interact. energy: -0.247
local terms energy: -67.418538
where:
bonds (distance) C4'-P energy: -15.819
bonds (distance) P-C4' energy: -17.173
flat angles C4'-P-C4' energy: -17.973
flat angles P-C4'-P energy: -13.315
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: 7
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -327.497363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.497363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.497363 (E_RNA)
where:
Base-Base interactions energy: -225.333
where: short stacking energy: -93.424
Base-Backbone interact. energy: 0.046
local terms energy: -102.209843
where:
bonds (distance) C4'-P energy: -22.227
bonds (distance) P-C4' energy: -16.259
flat angles C4'-P-C4' energy: -22.475
flat angles P-C4'-P energy: -14.857
tors. eta vs tors. theta energy: -26.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -319.160025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.160025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.160025 (E_RNA)
where:
Base-Base interactions energy: -225.583
where: short stacking energy: -103.474
Base-Backbone interact. energy: -0.099
local terms energy: -93.477718
where:
bonds (distance) C4'-P energy: -15.153
bonds (distance) P-C4' energy: -15.992
flat angles C4'-P-C4' energy: -23.562
flat angles P-C4'-P energy: -10.607
tors. eta vs tors. theta energy: -28.163
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: 73
Temperature: 1.000000
Total energy: -298.242448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.242448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.242448 (E_RNA)
where:
Base-Base interactions energy: -204.152
where: short stacking energy: -77.613
Base-Backbone interact. energy: -0.111
local terms energy: -93.978684
where:
bonds (distance) C4'-P energy: -18.456
bonds (distance) P-C4' energy: -18.754
flat angles C4'-P-C4' energy: -19.042
flat angles P-C4'-P energy: -11.838
tors. eta vs tors. theta energy: -25.889
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: 8
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -285.579075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.579075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.579075 (E_RNA)
where:
Base-Base interactions energy: -199.320
where: short stacking energy: -81.375
Base-Backbone interact. energy: -0.145
local terms energy: -86.114341
where:
bonds (distance) C4'-P energy: -18.158
bonds (distance) P-C4' energy: -19.333
flat angles C4'-P-C4' energy: -21.010
flat angles P-C4'-P energy: -11.908
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: 5, replica: 6
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -282.946816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.946816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.946816 (E_RNA)
where:
Base-Base interactions energy: -192.161
where: short stacking energy: -81.390
Base-Backbone interact. energy: -0.734
local terms energy: -90.052329
where:
bonds (distance) C4'-P energy: -12.200
bonds (distance) P-C4' energy: -18.255
flat angles C4'-P-C4' energy: -21.547
flat angles P-C4'-P energy: -13.342
tors. eta vs tors. theta energy: -24.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -215.324422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.324422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.324422 (E_RNA)
where:
Base-Base interactions energy: -130.737
where: short stacking energy: -56.318
Base-Backbone interact. energy: -0.417
local terms energy: -84.170839
where:
bonds (distance) C4'-P energy: -14.626
bonds (distance) P-C4' energy: -23.271
flat angles C4'-P-C4' energy: -20.800
flat angles P-C4'-P energy: -12.156
tors. eta vs tors. theta energy: -13.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -235.835553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.835553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.835553 (E_RNA)
where:
Base-Base interactions energy: -148.614
where: short stacking energy: -74.103
Base-Backbone interact. energy: -0.197
local terms energy: -87.023832
where:
bonds (distance) C4'-P energy: -18.754
bonds (distance) P-C4' energy: -15.789
flat angles C4'-P-C4' energy: -19.966
flat angles P-C4'-P energy: -12.739
tors. eta vs tors. theta energy: -19.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -114.905062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.905062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.905062 (E_RNA)
where:
Base-Base interactions energy: -52.086
where: short stacking energy: -28.909
Base-Backbone interact. energy: -0.176
local terms energy: -62.642162
where:
bonds (distance) C4'-P energy: -13.340
bonds (distance) P-C4' energy: -22.273
flat angles C4'-P-C4' energy: -16.877
flat angles P-C4'-P energy: -12.242
tors. eta vs tors. theta energy: 2.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -102.377335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.377335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.377335 (E_RNA)
where:
Base-Base interactions energy: -36.653
where: short stacking energy: -27.984
Base-Backbone interact. energy: -0.375
local terms energy: -65.349516
where:
bonds (distance) C4'-P energy: -20.055
bonds (distance) P-C4' energy: -24.830
flat angles C4'-P-C4' energy: -17.316
flat angles P-C4'-P energy: -4.520
tors. eta vs tors. theta energy: 1.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -111.714855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.714855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.714855 (E_RNA)
where:
Base-Base interactions energy: -46.786
where: short stacking energy: -37.842
Base-Backbone interact. energy: -0.188
local terms energy: -64.740887
where:
bonds (distance) C4'-P energy: -21.415
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -9.903
flat angles P-C4'-P energy: -9.293
tors. eta vs tors. theta energy: -7.322
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: 1, replica: 2
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -328.918106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.918106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.918106 (E_RNA)
where:
Base-Base interactions energy: -221.032
where: short stacking energy: -96.804
Base-Backbone interact. energy: -0.564
local terms energy: -107.321635
where:
bonds (distance) C4'-P energy: -19.695
bonds (distance) P-C4' energy: -21.151
flat angles C4'-P-C4' energy: -18.557
flat angles P-C4'-P energy: -16.930
tors. eta vs tors. theta energy: -30.990
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: 2, replica: 7
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -327.808671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.808671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.808671 (E_RNA)
where:
Base-Base interactions energy: -227.053
where: short stacking energy: -91.332
Base-Backbone interact. energy: 1.061
local terms energy: -101.816210
where:
bonds (distance) C4'-P energy: -17.098
bonds (distance) P-C4' energy: -22.476
flat angles C4'-P-C4' energy: -21.544
flat angles P-C4'-P energy: -14.418
tors. eta vs tors. theta energy: -26.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -295.215769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.215769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.215769 (E_RNA)
where:
Base-Base interactions energy: -203.042
where: short stacking energy: -83.041
Base-Backbone interact. energy: -0.617
local terms energy: -91.556346
where:
bonds (distance) C4'-P energy: -21.984
bonds (distance) P-C4' energy: -18.650
flat angles C4'-P-C4' energy: -18.423
flat angles P-C4'-P energy: -8.996
tors. eta vs tors. theta energy: -23.503
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: 4, replica: 8
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -272.108548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.108548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.108548 (E_RNA)
where:
Base-Base interactions energy: -180.900
where: short stacking energy: -70.146
Base-Backbone interact. energy: 2.245
local terms energy: -93.453917
where:
bonds (distance) C4'-P energy: -19.562
bonds (distance) P-C4' energy: -20.298
flat angles C4'-P-C4' energy: -18.871
flat angles P-C4'-P energy: -15.861
tors. eta vs tors. theta energy: -18.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -293.747794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.747794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.747794 (E_RNA)
where:
Base-Base interactions energy: -191.567
where: short stacking energy: -92.533
Base-Backbone interact. energy: -0.023
local terms energy: -102.158004
where:
bonds (distance) C4'-P energy: -16.775
bonds (distance) P-C4' energy: -22.298
flat angles C4'-P-C4' energy: -18.949
flat angles P-C4'-P energy: -12.981
tors. eta vs tors. theta energy: -31.155
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: 10
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -202.528489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.528489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.528489 (E_RNA)
where:
Base-Base interactions energy: -126.857
where: short stacking energy: -51.995
Base-Backbone interact. energy: -0.648
local terms energy: -75.023614
where:
bonds (distance) C4'-P energy: -17.756
bonds (distance) P-C4' energy: -18.696
flat angles C4'-P-C4' energy: -17.580
flat angles P-C4'-P energy: -10.559
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: 7, replica: 4
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -227.592277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.592277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.592277 (E_RNA)
where:
Base-Base interactions energy: -145.783
where: short stacking energy: -78.224
Base-Backbone interact. energy: 2.137
local terms energy: -83.946375
where:
bonds (distance) C4'-P energy: -17.086
bonds (distance) P-C4' energy: -12.502
flat angles C4'-P-C4' energy: -21.686
flat angles P-C4'-P energy: -10.673
tors. eta vs tors. theta energy: -21.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -123.729126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.729126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.729126 (E_RNA)
where:
Base-Base interactions energy: -55.366
where: short stacking energy: -38.414
Base-Backbone interact. energy: -0.134
local terms energy: -68.229014
where:
bonds (distance) C4'-P energy: -11.956
bonds (distance) P-C4' energy: -22.778
flat angles C4'-P-C4' energy: -17.375
flat angles P-C4'-P energy: -11.937
tors. eta vs tors. theta energy: -4.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -98.742251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.742251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.742251 (E_RNA)
where:
Base-Base interactions energy: -40.737
where: short stacking energy: -27.289
Base-Backbone interact. energy: -0.350
local terms energy: -57.655225
where:
bonds (distance) C4'-P energy: -17.085
bonds (distance) P-C4' energy: -20.130
flat angles C4'-P-C4' energy: -12.625
flat angles P-C4'-P energy: -5.742
tors. eta vs tors. theta energy: -2.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -97.657356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.657356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.657356 (E_RNA)
where:
Base-Base interactions energy: -41.732
where: short stacking energy: -35.062
Base-Backbone interact. energy: 1.726
local terms energy: -57.651438
where:
bonds (distance) C4'-P energy: -14.931
bonds (distance) P-C4' energy: -18.653
flat angles C4'-P-C4' energy: -9.666
flat angles P-C4'-P energy: -7.559
tors. eta vs tors. theta energy: -6.843
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: 2
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -329.330035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.330035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.330035 (E_RNA)
where:
Base-Base interactions energy: -217.980
where: short stacking energy: -101.535
Base-Backbone interact. energy: 0.132
local terms energy: -111.481889
where:
bonds (distance) C4'-P energy: -21.120
bonds (distance) P-C4' energy: -23.908
flat angles C4'-P-C4' energy: -21.401
flat angles P-C4'-P energy: -18.401
tors. eta vs tors. theta energy: -26.652
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: 7
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -330.358826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.358826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.358826 (E_RNA)
where:
Base-Base interactions energy: -222.489
where: short stacking energy: -90.989
Base-Backbone interact. energy: 0.173
local terms energy: -108.043588
where:
bonds (distance) C4'-P energy: -23.813
bonds (distance) P-C4' energy: -20.367
flat angles C4'-P-C4' energy: -23.208
flat angles P-C4'-P energy: -16.371
tors. eta vs tors. theta energy: -24.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -288.375650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.375650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.375650 (E_RNA)
where:
Base-Base interactions energy: -207.048
where: short stacking energy: -84.256
Base-Backbone interact. energy: -0.815
local terms energy: -80.512777
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -9.634
flat angles C4'-P-C4' energy: -21.571
flat angles P-C4'-P energy: -10.731
tors. eta vs tors. theta energy: -22.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -293.436522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.436522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.436522 (E_RNA)
where:
Base-Base interactions energy: -201.113
where: short stacking energy: -82.151
Base-Backbone interact. energy: -0.220
local terms energy: -92.104063
where:
bonds (distance) C4'-P energy: -20.382
bonds (distance) P-C4' energy: -21.358
flat angles C4'-P-C4' energy: -18.072
flat angles P-C4'-P energy: -12.774
tors. eta vs tors. theta energy: -19.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -286.632223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.632223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.632223 (E_RNA)
where:
Base-Base interactions energy: -192.857
where: short stacking energy: -79.505
Base-Backbone interact. energy: 0.074
local terms energy: -93.849785
where:
bonds (distance) C4'-P energy: -19.243
bonds (distance) P-C4' energy: -18.780
flat angles C4'-P-C4' energy: -23.846
flat angles P-C4'-P energy: -11.398
tors. eta vs tors. theta energy: -20.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -217.925042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.925042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.925042 (E_RNA)
where:
Base-Base interactions energy: -132.058
where: short stacking energy: -61.666
Base-Backbone interact. energy: 1.237
local terms energy: -87.103679
where:
bonds (distance) C4'-P energy: -17.034
bonds (distance) P-C4' energy: -22.930
flat angles C4'-P-C4' energy: -18.639
flat angles P-C4'-P energy: -17.110
tors. eta vs tors. theta energy: -11.391
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: 75
Temperature: 1.200000
Total energy: -172.481739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.481739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.481739 (E_RNA)
where:
Base-Base interactions energy: -109.615
where: short stacking energy: -52.902
Base-Backbone interact. energy: -0.382
local terms energy: -62.484893
where:
bonds (distance) C4'-P energy: -19.822
bonds (distance) P-C4' energy: -17.078
flat angles C4'-P-C4' energy: -12.450
flat angles P-C4'-P energy: -7.601
tors. eta vs tors. theta energy: -5.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -114.342488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.342488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.342488 (E_RNA)
where:
Base-Base interactions energy: -43.206
where: short stacking energy: -33.437
Base-Backbone interact. energy: -0.209
local terms energy: -70.927175
where:
bonds (distance) C4'-P energy: -16.946
bonds (distance) P-C4' energy: -21.188
flat angles C4'-P-C4' energy: -10.258
flat angles P-C4'-P energy: -15.636
tors. eta vs tors. theta energy: -6.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -105.629325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.629325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.629325 (E_RNA)
where:
Base-Base interactions energy: -40.481
where: short stacking energy: -29.490
Base-Backbone interact. energy: 0.602
local terms energy: -65.750250
where:
bonds (distance) C4'-P energy: -22.393
bonds (distance) P-C4' energy: -14.312
flat angles C4'-P-C4' energy: -19.778
flat angles P-C4'-P energy: -15.144
tors. eta vs tors. theta energy: 5.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -99.034057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.034057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.034057 (E_RNA)
where:
Base-Base interactions energy: -31.074
where: short stacking energy: -31.074
Base-Backbone interact. energy: 1.660
local terms energy: -69.620091
where:
bonds (distance) C4'-P energy: -17.628
bonds (distance) P-C4' energy: -20.921
flat angles C4'-P-C4' energy: -14.540
flat angles P-C4'-P energy: -12.035
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: 1, replica: 7
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -337.675832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.675832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.675832 (E_RNA)
where:
Base-Base interactions energy: -240.579
where: short stacking energy: -99.695
Base-Backbone interact. energy: 0.153
local terms energy: -97.250548
where:
bonds (distance) C4'-P energy: -18.070
bonds (distance) P-C4' energy: -23.808
flat angles C4'-P-C4' energy: -16.856
flat angles P-C4'-P energy: -14.521
tors. eta vs tors. theta energy: -23.995
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: 2
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -326.489352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.489352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.489352 (E_RNA)
where:
Base-Base interactions energy: -220.109
where: short stacking energy: -95.033
Base-Backbone interact. energy: -0.197
local terms energy: -106.183398
where:
bonds (distance) C4'-P energy: -21.129
bonds (distance) P-C4' energy: -18.607
flat angles C4'-P-C4' energy: -19.759
flat angles P-C4'-P energy: -16.021
tors. eta vs tors. theta energy: -30.667
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: 3
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -292.458526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.458526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.458526 (E_RNA)
where:
Base-Base interactions energy: -205.517
where: short stacking energy: -79.281
Base-Backbone interact. energy: -0.055
local terms energy: -86.886582
where:
bonds (distance) C4'-P energy: -20.903
bonds (distance) P-C4' energy: -21.627
flat angles C4'-P-C4' energy: -22.218
flat angles P-C4'-P energy: -6.546
tors. eta vs tors. theta energy: -15.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -271.272235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.272235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.272235 (E_RNA)
where:
Base-Base interactions energy: -175.573
where: short stacking energy: -64.476
Base-Backbone interact. energy: -0.664
local terms energy: -95.035119
where:
bonds (distance) C4'-P energy: -18.520
bonds (distance) P-C4' energy: -22.603
flat angles C4'-P-C4' energy: -17.713
flat angles P-C4'-P energy: -17.616
tors. eta vs tors. theta energy: -18.584
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: 6
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -282.562469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.562469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.562469 (E_RNA)
where:
Base-Base interactions energy: -187.999
where: short stacking energy: -85.886
Base-Backbone interact. energy: -0.490
local terms energy: -94.073678
where:
bonds (distance) C4'-P energy: -17.884
bonds (distance) P-C4' energy: -18.498
flat angles C4'-P-C4' energy: -18.570
flat angles P-C4'-P energy: -10.894
tors. eta vs tors. theta energy: -28.228
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: 4
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -185.424730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.424730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.424730 (E_RNA)
where:
Base-Base interactions energy: -105.939
where: short stacking energy: -62.237
Base-Backbone interact. energy: -0.272
local terms energy: -79.214300
where:
bonds (distance) C4'-P energy: -17.006
bonds (distance) P-C4' energy: -21.160
flat angles C4'-P-C4' energy: -14.950
flat angles P-C4'-P energy: -13.308
tors. eta vs tors. theta energy: -12.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -139.476444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.476444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.476444 (E_RNA)
where:
Base-Base interactions energy: -66.176
where: short stacking energy: -56.408
Base-Backbone interact. energy: -0.151
local terms energy: -73.149326
where:
bonds (distance) C4'-P energy: -18.001
bonds (distance) P-C4' energy: -17.586
flat angles C4'-P-C4' energy: -16.906
flat angles P-C4'-P energy: -10.369
tors. eta vs tors. theta energy: -10.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -184.417477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.417477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.417477 (E_RNA)
where:
Base-Base interactions energy: -113.815
where: short stacking energy: -54.207
Base-Backbone interact. energy: -0.763
local terms energy: -69.839035
where:
bonds (distance) C4'-P energy: -13.003
bonds (distance) P-C4' energy: -21.368
flat angles C4'-P-C4' energy: -11.356
flat angles P-C4'-P energy: -15.593
tors. eta vs tors. theta energy: -8.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -110.620815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.620815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.620815 (E_RNA)
where:
Base-Base interactions energy: -52.542
where: short stacking energy: -37.611
Base-Backbone interact. energy: -0.515
local terms energy: -57.564078
where:
bonds (distance) C4'-P energy: -18.986
bonds (distance) P-C4' energy: -19.451
flat angles C4'-P-C4' energy: -12.068
flat angles P-C4'-P energy: -11.157
tors. eta vs tors. theta energy: 4.099
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: 10, replica: 9
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -95.542070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.542070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.542070 (E_RNA)
where:
Base-Base interactions energy: -37.007
where: short stacking energy: -20.916
Base-Backbone interact. energy: 5.281
local terms energy: -63.815549
where:
bonds (distance) C4'-P energy: -16.361
bonds (distance) P-C4' energy: -20.778
flat angles C4'-P-C4' energy: -16.728
flat angles P-C4'-P energy: -9.017
tors. eta vs tors. theta energy: -0.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -326.044540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.044540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.044540 (E_RNA)
where:
Base-Base interactions energy: -223.247
where: short stacking energy: -95.716
Base-Backbone interact. energy: -0.150
local terms energy: -102.647716
where:
bonds (distance) C4'-P energy: -20.130
bonds (distance) P-C4' energy: -20.124
flat angles C4'-P-C4' energy: -20.994
flat angles P-C4'-P energy: -17.345
tors. eta vs tors. theta energy: -24.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -324.617355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.617355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.617355 (E_RNA)
where:
Base-Base interactions energy: -226.051
where: short stacking energy: -96.406
Base-Backbone interact. energy: -0.232
local terms energy: -98.334158
where:
bonds (distance) C4'-P energy: -18.170
bonds (distance) P-C4' energy: -24.452
flat angles C4'-P-C4' energy: -17.258
flat angles P-C4'-P energy: -13.734
tors. eta vs tors. theta energy: -24.719
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: 3
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -302.725357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.725357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.725357 (E_RNA)
where:
Base-Base interactions energy: -215.819
where: short stacking energy: -83.628
Base-Backbone interact. energy: -0.420
local terms energy: -86.486270
where:
bonds (distance) C4'-P energy: -15.091
bonds (distance) P-C4' energy: -19.709
flat angles C4'-P-C4' energy: -17.813
flat angles P-C4'-P energy: -13.010
tors. eta vs tors. theta energy: -20.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -292.118534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.118534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.118534 (E_RNA)
where:
Base-Base interactions energy: -198.814
where: short stacking energy: -83.196
Base-Backbone interact. energy: -0.107
local terms energy: -93.197368
where:
bonds (distance) C4'-P energy: -20.560
bonds (distance) P-C4' energy: -19.246
flat angles C4'-P-C4' energy: -17.314
flat angles P-C4'-P energy: -9.987
tors. eta vs tors. theta energy: -26.091
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: 6
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -275.711049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.711049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.711049 (E_RNA)
where:
Base-Base interactions energy: -180.668
where: short stacking energy: -91.213
Base-Backbone interact. energy: -0.820
local terms energy: -94.223616
where:
bonds (distance) C4'-P energy: -15.330
bonds (distance) P-C4' energy: -21.658
flat angles C4'-P-C4' energy: -21.017
flat angles P-C4'-P energy: -12.427
tors. eta vs tors. theta energy: -23.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -227.449909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.449909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.449909 (E_RNA)
where:
Base-Base interactions energy: -139.210
where: short stacking energy: -67.650
Base-Backbone interact. energy: -0.167
local terms energy: -88.073152
where:
bonds (distance) C4'-P energy: -14.991
bonds (distance) P-C4' energy: -22.638
flat angles C4'-P-C4' energy: -15.182
flat angles P-C4'-P energy: -15.457
tors. eta vs tors. theta energy: -19.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -149.126567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.126567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.126567 (E_RNA)
where:
Base-Base interactions energy: -83.205
where: short stacking energy: -42.499
Base-Backbone interact. energy: -0.299
local terms energy: -65.622407
where:
bonds (distance) C4'-P energy: -19.541
bonds (distance) P-C4' energy: -13.038
flat angles C4'-P-C4' energy: -18.097
flat angles P-C4'-P energy: -11.610
tors. eta vs tors. theta energy: -3.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -190.735834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.735834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.735834 (E_RNA)
where:
Base-Base interactions energy: -119.973
where: short stacking energy: -60.643
Base-Backbone interact. energy: -0.013
local terms energy: -70.749984
where:
bonds (distance) C4'-P energy: -11.301
bonds (distance) P-C4' energy: -23.473
flat angles C4'-P-C4' energy: -15.949
flat angles P-C4'-P energy: -6.582
tors. eta vs tors. theta energy: -13.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -107.254611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.254611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.254611 (E_RNA)
where:
Base-Base interactions energy: -46.786
where: short stacking energy: -27.499
Base-Backbone interact. energy: -0.150
local terms energy: -60.317633
where:
bonds (distance) C4'-P energy: -16.754
bonds (distance) P-C4' energy: -19.077
flat angles C4'-P-C4' energy: -13.860
flat angles P-C4'-P energy: -8.442
tors. eta vs tors. theta energy: -2.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -105.910181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.910181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.910181 (E_RNA)
where:
Base-Base interactions energy: -40.401
where: short stacking energy: -39.400
Base-Backbone interact. energy: -0.143
local terms energy: -65.366640
where:
bonds (distance) C4'-P energy: -21.369
bonds (distance) P-C4' energy: -13.400
flat angles C4'-P-C4' energy: -16.376
flat angles P-C4'-P energy: -8.472
tors. eta vs tors. theta energy: -5.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -328.373135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.373135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.373135 (E_RNA)
where:
Base-Base interactions energy: -224.592
where: short stacking energy: -99.263
Base-Backbone interact. energy: -0.329
local terms energy: -103.452386
where:
bonds (distance) C4'-P energy: -19.627
bonds (distance) P-C4' energy: -21.809
flat angles C4'-P-C4' energy: -19.408
flat angles P-C4'-P energy: -15.532
tors. eta vs tors. theta energy: -27.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -329.043867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.043867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.043867 (E_RNA)
where:
Base-Base interactions energy: -227.408
where: short stacking energy: -88.839
Base-Backbone interact. energy: -0.214
local terms energy: -101.421988
where:
bonds (distance) C4'-P energy: -21.552
bonds (distance) P-C4' energy: -21.325
flat angles C4'-P-C4' energy: -21.378
flat angles P-C4'-P energy: -10.433
tors. eta vs tors. theta energy: -26.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -290.660027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.660027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.660027 (E_RNA)
where:
Base-Base interactions energy: -198.602
where: short stacking energy: -80.540
Base-Backbone interact. energy: -0.419
local terms energy: -91.638524
where:
bonds (distance) C4'-P energy: -20.370
bonds (distance) P-C4' energy: -20.775
flat angles C4'-P-C4' energy: -16.629
flat angles P-C4'-P energy: -7.887
tors. eta vs tors. theta energy: -25.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -282.416959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.416959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.416959 (E_RNA)
where:
Base-Base interactions energy: -193.458
where: short stacking energy: -78.342
Base-Backbone interact. energy: -0.436
local terms energy: -88.523017
where:
bonds (distance) C4'-P energy: -15.512
bonds (distance) P-C4' energy: -20.371
flat angles C4'-P-C4' energy: -18.922
flat angles P-C4'-P energy: -11.440
tors. eta vs tors. theta energy: -22.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -290.872420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.872420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.872420 (E_RNA)
where:
Base-Base interactions energy: -202.876
where: short stacking energy: -91.509
Base-Backbone interact. energy: -0.293
local terms energy: -87.703764
where:
bonds (distance) C4'-P energy: -15.364
bonds (distance) P-C4' energy: -17.503
flat angles C4'-P-C4' energy: -16.272
flat angles P-C4'-P energy: -9.916
tors. eta vs tors. theta energy: -28.649
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: 6, replica: 4
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -243.499138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.499138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.499138 (E_RNA)
where:
Base-Base interactions energy: -143.365
where: short stacking energy: -72.216
Base-Backbone interact. energy: -0.155
local terms energy: -99.979114
where:
bonds (distance) C4'-P energy: -22.153
bonds (distance) P-C4' energy: -21.270
flat angles C4'-P-C4' energy: -22.175
flat angles P-C4'-P energy: -14.786
tors. eta vs tors. theta energy: -19.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -199.627944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.627944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.627944 (E_RNA)
where:
Base-Base interactions energy: -134.732
where: short stacking energy: -61.767
Base-Backbone interact. energy: 3.002
local terms energy: -67.898358
where:
bonds (distance) C4'-P energy: -17.389
bonds (distance) P-C4' energy: -13.526
flat angles C4'-P-C4' energy: -16.679
flat angles P-C4'-P energy: -7.980
tors. eta vs tors. theta energy: -12.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -171.023157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.023157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.023157 (E_RNA)
where:
Base-Base interactions energy: -104.334
where: short stacking energy: -49.442
Base-Backbone interact. energy: -0.210
local terms energy: -66.478467
where:
bonds (distance) C4'-P energy: -14.185
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -19.348
flat angles P-C4'-P energy: -15.016
tors. eta vs tors. theta energy: -2.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -112.190438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.190438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.190438 (E_RNA)
where:
Base-Base interactions energy: -50.615
where: short stacking energy: -37.659
Base-Backbone interact. energy: -1.181
local terms energy: -60.394588
where:
bonds (distance) C4'-P energy: -16.477
bonds (distance) P-C4' energy: -14.685
flat angles C4'-P-C4' energy: -21.229
flat angles P-C4'-P energy: -7.254
tors. eta vs tors. theta energy: -0.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -104.839985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.839985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.839985 (E_RNA)
where:
Base-Base interactions energy: -39.017
where: short stacking energy: -39.017
Base-Backbone interact. energy: -0.097
local terms energy: -65.725329
where:
bonds (distance) C4'-P energy: -17.153
bonds (distance) P-C4' energy: -15.171
flat angles C4'-P-C4' energy: -16.666
flat angles P-C4'-P energy: -12.997
tors. eta vs tors. theta energy: -3.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -335.378563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.378563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.378563 (E_RNA)
where:
Base-Base interactions energy: -227.521
where: short stacking energy: -99.706
Base-Backbone interact. energy: -0.354
local terms energy: -107.503507
where:
bonds (distance) C4'-P energy: -18.900
bonds (distance) P-C4' energy: -23.660
flat angles C4'-P-C4' energy: -21.398
flat angles P-C4'-P energy: -15.340
tors. eta vs tors. theta energy: -28.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -321.976408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.976408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.976408 (E_RNA)
where:
Base-Base interactions energy: -222.387
where: short stacking energy: -83.152
Base-Backbone interact. energy: -0.103
local terms energy: -99.486327
where:
bonds (distance) C4'-P energy: -19.022
bonds (distance) P-C4' energy: -24.166
flat angles C4'-P-C4' energy: -23.872
flat angles P-C4'-P energy: -12.103
tors. eta vs tors. theta energy: -20.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -300.617395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.617395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.617395 (E_RNA)
where:
Base-Base interactions energy: -203.961
where: short stacking energy: -85.920
Base-Backbone interact. energy: -0.187
local terms energy: -96.469560
where:
bonds (distance) C4'-P energy: -14.519
bonds (distance) P-C4' energy: -21.617
flat angles C4'-P-C4' energy: -20.368
flat angles P-C4'-P energy: -15.873
tors. eta vs tors. theta energy: -24.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -300.046525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.046525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.046525 (E_RNA)
where:
Base-Base interactions energy: -193.738
where: short stacking energy: -91.263
Base-Backbone interact. energy: 0.302
local terms energy: -106.610317
where:
bonds (distance) C4'-P energy: -20.741
bonds (distance) P-C4' energy: -21.297
flat angles C4'-P-C4' energy: -21.738
flat angles P-C4'-P energy: -12.400
tors. eta vs tors. theta energy: -30.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -281.204155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.204155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.204155 (E_RNA)
where:
Base-Base interactions energy: -193.198
where: short stacking energy: -74.351
Base-Backbone interact. energy: -0.110
local terms energy: -87.895969
where:
bonds (distance) C4'-P energy: -14.895
bonds (distance) P-C4' energy: -20.568
flat angles C4'-P-C4' energy: -21.620
flat angles P-C4'-P energy: -7.995
tors. eta vs tors. theta energy: -22.818
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: 6, replica: 4
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -230.339620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.339620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.339620 (E_RNA)
where:
Base-Base interactions energy: -141.678
where: short stacking energy: -69.418
Base-Backbone interact. energy: -0.911
local terms energy: -87.750877
where:
bonds (distance) C4'-P energy: -15.898
bonds (distance) P-C4' energy: -21.472
flat angles C4'-P-C4' energy: -18.059
flat angles P-C4'-P energy: -10.099
tors. eta vs tors. theta energy: -22.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -219.600340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.600340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.600340 (E_RNA)
where:
Base-Base interactions energy: -142.458
where: short stacking energy: -60.724
Base-Backbone interact. energy: -0.072
local terms energy: -77.070668
where:
bonds (distance) C4'-P energy: -14.179
bonds (distance) P-C4' energy: -19.143
flat angles C4'-P-C4' energy: -17.227
flat angles P-C4'-P energy: -12.480
tors. eta vs tors. theta energy: -14.042
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: 79
Temperature: 1.250000
Total energy: -179.549596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.549596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.549596 (E_RNA)
where:
Base-Base interactions energy: -111.689
where: short stacking energy: -61.168
Base-Backbone interact. energy: -0.163
local terms energy: -67.697250
where:
bonds (distance) C4'-P energy: -17.563
bonds (distance) P-C4' energy: -15.633
flat angles C4'-P-C4' energy: -18.942
flat angles P-C4'-P energy: -4.450
tors. eta vs tors. theta energy: -11.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -110.880816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.880816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.880816 (E_RNA)
where:
Base-Base interactions energy: -46.484
where: short stacking energy: -39.050
Base-Backbone interact. energy: 0.347
local terms energy: -64.744151
where:
bonds (distance) C4'-P energy: -14.023
bonds (distance) P-C4' energy: -20.047
flat angles C4'-P-C4' energy: -17.819
flat angles P-C4'-P energy: -5.352
tors. eta vs tors. theta energy: -7.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -93.318550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.318550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.318550 (E_RNA)
where:
Base-Base interactions energy: -30.870
where: short stacking energy: -20.568
Base-Backbone interact. energy: 0.009
local terms energy: -62.458099
where:
bonds (distance) C4'-P energy: -18.913
bonds (distance) P-C4' energy: -19.805
flat angles C4'-P-C4' energy: -19.123
flat angles P-C4'-P energy: -5.043
tors. eta vs tors. theta energy: 0.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -331.056269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.056269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.056269 (E_RNA)
where:
Base-Base interactions energy: -230.972
where: short stacking energy: -96.325
Base-Backbone interact. energy: -0.561
local terms energy: -99.523624
where:
bonds (distance) C4'-P energy: -18.604
bonds (distance) P-C4' energy: -19.276
flat angles C4'-P-C4' energy: -23.012
flat angles P-C4'-P energy: -11.274
tors. eta vs tors. theta energy: -27.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -320.991508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.991508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.991508 (E_RNA)
where:
Base-Base interactions energy: -214.140
where: short stacking energy: -91.886
Base-Backbone interact. energy: 0.759
local terms energy: -107.610486
where:
bonds (distance) C4'-P energy: -22.066
bonds (distance) P-C4' energy: -23.440
flat angles C4'-P-C4' energy: -18.569
flat angles P-C4'-P energy: -15.934
tors. eta vs tors. theta energy: -27.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -304.525841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.525841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.525841 (E_RNA)
where:
Base-Base interactions energy: -203.069
where: short stacking energy: -100.790
Base-Backbone interact. energy: 1.437
local terms energy: -102.893939
where:
bonds (distance) C4'-P energy: -20.725
bonds (distance) P-C4' energy: -19.086
flat angles C4'-P-C4' energy: -20.557
flat angles P-C4'-P energy: -14.921
tors. eta vs tors. theta energy: -27.605
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: 8
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -296.542553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.542553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.542553 (E_RNA)
where:
Base-Base interactions energy: -199.788
where: short stacking energy: -86.999
Base-Backbone interact. energy: -0.047
local terms energy: -96.708220
where:
bonds (distance) C4'-P energy: -17.388
bonds (distance) P-C4' energy: -21.979
flat angles C4'-P-C4' energy: -20.299
flat angles P-C4'-P energy: -8.796
tors. eta vs tors. theta energy: -28.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -267.856449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.856449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.856449 (E_RNA)
where:
Base-Base interactions energy: -181.371
where: short stacking energy: -79.474
Base-Backbone interact. energy: -1.785
local terms energy: -84.700291
where:
bonds (distance) C4'-P energy: -19.531
bonds (distance) P-C4' energy: -16.351
flat angles C4'-P-C4' energy: -19.154
flat angles P-C4'-P energy: -10.408
tors. eta vs tors. theta energy: -19.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -250.590157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.590157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.590157 (E_RNA)
where:
Base-Base interactions energy: -157.256
where: short stacking energy: -84.473
Base-Backbone interact. energy: -1.052
local terms energy: -92.282665
where:
bonds (distance) C4'-P energy: -17.648
bonds (distance) P-C4' energy: -13.322
flat angles C4'-P-C4' energy: -19.799
flat angles P-C4'-P energy: -14.038
tors. eta vs tors. theta energy: -27.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -205.228295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.228295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.228295 (E_RNA)
where:
Base-Base interactions energy: -131.046
where: short stacking energy: -54.303
Base-Backbone interact. energy: -0.076
local terms energy: -74.106121
where:
bonds (distance) C4'-P energy: -17.444
bonds (distance) P-C4' energy: -15.373
flat angles C4'-P-C4' energy: -22.132
flat angles P-C4'-P energy: -9.004
tors. eta vs tors. theta energy: -10.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -163.382556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.382556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.382556 (E_RNA)
where:
Base-Base interactions energy: -89.515
where: short stacking energy: -46.050
Base-Backbone interact. energy: -0.072
local terms energy: -73.795548
where:
bonds (distance) C4'-P energy: -16.994
bonds (distance) P-C4' energy: -19.177
flat angles C4'-P-C4' energy: -14.267
flat angles P-C4'-P energy: -11.744
tors. eta vs tors. theta energy: -11.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -109.766982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.766982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.766982 (E_RNA)
where:
Base-Base interactions energy: -40.783
where: short stacking energy: -25.465
Base-Backbone interact. energy: -0.784
local terms energy: -68.199160
where:
bonds (distance) C4'-P energy: -17.574
bonds (distance) P-C4' energy: -17.865
flat angles C4'-P-C4' energy: -16.964
flat angles P-C4'-P energy: -13.752
tors. eta vs tors. theta energy: -2.044
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: 1
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -113.628293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.628293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.628293 (E_RNA)
where:
Base-Base interactions energy: -42.144
where: short stacking energy: -36.474
Base-Backbone interact. energy: -0.473
local terms energy: -71.011146
where:
bonds (distance) C4'-P energy: -16.998
bonds (distance) P-C4' energy: -21.031
flat angles C4'-P-C4' energy: -18.723
flat angles P-C4'-P energy: -8.849
tors. eta vs tors. theta energy: -5.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -331.615357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.615357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.615357 (E_RNA)
where:
Base-Base interactions energy: -233.491
where: short stacking energy: -96.659
Base-Backbone interact. energy: -0.101
local terms energy: -98.023024
where:
bonds (distance) C4'-P energy: -19.379
bonds (distance) P-C4' energy: -21.289
flat angles C4'-P-C4' energy: -21.661
flat angles P-C4'-P energy: -10.413
tors. eta vs tors. theta energy: -25.282
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: 6
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -316.412804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.412804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.412804 (E_RNA)
where:
Base-Base interactions energy: -209.822
where: short stacking energy: -95.279
Base-Backbone interact. energy: -0.158
local terms energy: -106.432493
where:
bonds (distance) C4'-P energy: -20.903
bonds (distance) P-C4' energy: -20.848
flat angles C4'-P-C4' energy: -19.430
flat angles P-C4'-P energy: -18.804
tors. eta vs tors. theta energy: -26.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -318.546693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.546693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.546693 (E_RNA)
where:
Base-Base interactions energy: -217.609
where: short stacking energy: -83.310
Base-Backbone interact. energy: 0.619
local terms energy: -101.556152
where:
bonds (distance) C4'-P energy: -23.417
bonds (distance) P-C4' energy: -18.432
flat angles C4'-P-C4' energy: -20.035
flat angles P-C4'-P energy: -14.507
tors. eta vs tors. theta energy: -25.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -277.208039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.208039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.208039 (E_RNA)
where:
Base-Base interactions energy: -196.699
where: short stacking energy: -78.880
Base-Backbone interact. energy: -0.055
local terms energy: -80.454819
where:
bonds (distance) C4'-P energy: -14.995
bonds (distance) P-C4' energy: -22.173
flat angles C4'-P-C4' energy: -13.720
flat angles P-C4'-P energy: -11.956
tors. eta vs tors. theta energy: -17.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -263.502607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.502607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.502607 (E_RNA)
where:
Base-Base interactions energy: -171.430
where: short stacking energy: -68.519
Base-Backbone interact. energy: -0.258
local terms energy: -91.814090
where:
bonds (distance) C4'-P energy: -20.845
bonds (distance) P-C4' energy: -20.654
flat angles C4'-P-C4' energy: -17.926
flat angles P-C4'-P energy: -13.459
tors. eta vs tors. theta energy: -18.930
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: 4
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -244.345287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.345287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.345287 (E_RNA)
where:
Base-Base interactions energy: -143.576
where: short stacking energy: -78.710
Base-Backbone interact. energy: -0.050
local terms energy: -100.719005
where:
bonds (distance) C4'-P energy: -19.425
bonds (distance) P-C4' energy: -15.863
flat angles C4'-P-C4' energy: -24.662
flat angles P-C4'-P energy: -14.155
tors. eta vs tors. theta energy: -26.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -203.733730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.733730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.733730 (E_RNA)
where:
Base-Base interactions energy: -130.136
where: short stacking energy: -58.119
Base-Backbone interact. energy: 0.330
local terms energy: -73.927333
where:
bonds (distance) C4'-P energy: -16.780
bonds (distance) P-C4' energy: -12.091
flat angles C4'-P-C4' energy: -19.882
flat angles P-C4'-P energy: -8.833
tors. eta vs tors. theta energy: -16.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -166.880171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.880171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.880171 (E_RNA)
where:
Base-Base interactions energy: -94.000
where: short stacking energy: -48.897
Base-Backbone interact. energy: -0.396
local terms energy: -72.483923
where:
bonds (distance) C4'-P energy: -17.039
bonds (distance) P-C4' energy: -19.426
flat angles C4'-P-C4' energy: -13.526
flat angles P-C4'-P energy: -7.884
tors. eta vs tors. theta energy: -14.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -131.159176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.159176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.159176 (E_RNA)
where:
Base-Base interactions energy: -60.499
where: short stacking energy: -35.876
Base-Backbone interact. energy: -0.071
local terms energy: -70.588999
where:
bonds (distance) C4'-P energy: -23.627
bonds (distance) P-C4' energy: -16.975
flat angles C4'-P-C4' energy: -13.171
flat angles P-C4'-P energy: -11.382
tors. eta vs tors. theta energy: -5.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -110.111120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.111120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.111120 (E_RNA)
where:
Base-Base interactions energy: -52.561
where: short stacking energy: -31.682
Base-Backbone interact. energy: -0.365
local terms energy: -57.185232
where:
bonds (distance) C4'-P energy: -17.093
bonds (distance) P-C4' energy: -21.252
flat angles C4'-P-C4' energy: -9.944
flat angles P-C4'-P energy: -8.662
tors. eta vs tors. theta energy: -0.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -331.186452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.186452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.186452 (E_RNA)
where:
Base-Base interactions energy: -234.455
where: short stacking energy: -87.350
Base-Backbone interact. energy: 0.089
local terms energy: -96.820373
where:
bonds (distance) C4'-P energy: -19.110
bonds (distance) P-C4' energy: -19.936
flat angles C4'-P-C4' energy: -21.019
flat angles P-C4'-P energy: -14.259
tors. eta vs tors. theta energy: -22.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -314.810864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.810864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.810864 (E_RNA)
where:
Base-Base interactions energy: -210.602
where: short stacking energy: -98.710
Base-Backbone interact. energy: -0.003
local terms energy: -104.205776
where:
bonds (distance) C4'-P energy: -16.553
bonds (distance) P-C4' energy: -22.145
flat angles C4'-P-C4' energy: -22.399
flat angles P-C4'-P energy: -14.734
tors. eta vs tors. theta energy: -28.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -321.390401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.390401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.390401 (E_RNA)
where:
Base-Base interactions energy: -225.697
where: short stacking energy: -99.127
Base-Backbone interact. energy: -0.159
local terms energy: -95.534840
where:
bonds (distance) C4'-P energy: -19.539
bonds (distance) P-C4' energy: -17.139
flat angles C4'-P-C4' energy: -21.607
flat angles P-C4'-P energy: -12.637
tors. eta vs tors. theta energy: -24.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -293.434701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.434701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.434701 (E_RNA)
where:
Base-Base interactions energy: -202.685
where: short stacking energy: -87.648
Base-Backbone interact. energy: -0.140
local terms energy: -90.609111
where:
bonds (distance) C4'-P energy: -16.842
bonds (distance) P-C4' energy: -21.234
flat angles C4'-P-C4' energy: -19.676
flat angles P-C4'-P energy: -9.769
tors. eta vs tors. theta energy: -23.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -285.593968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.593968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.593968 (E_RNA)
where:
Base-Base interactions energy: -193.294
where: short stacking energy: -75.852
Base-Backbone interact. energy: -0.187
local terms energy: -92.112343
where:
bonds (distance) C4'-P energy: -21.367
bonds (distance) P-C4' energy: -20.644
flat angles C4'-P-C4' energy: -16.605
flat angles P-C4'-P energy: -12.094
tors. eta vs tors. theta energy: -21.403
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: 4
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -231.065516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.065516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.065516 (E_RNA)
where:
Base-Base interactions energy: -135.307
where: short stacking energy: -76.241
Base-Backbone interact. energy: -0.476
local terms energy: -95.282501
where:
bonds (distance) C4'-P energy: -18.769
bonds (distance) P-C4' energy: -17.083
flat angles C4'-P-C4' energy: -20.854
flat angles P-C4'-P energy: -13.304
tors. eta vs tors. theta energy: -25.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -203.381284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.381284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.381284 (E_RNA)
where:
Base-Base interactions energy: -128.745
where: short stacking energy: -46.476
Base-Backbone interact. energy: -1.425
local terms energy: -73.211373
where:
bonds (distance) C4'-P energy: -19.491
bonds (distance) P-C4' energy: -18.498
flat angles C4'-P-C4' energy: -15.383
flat angles P-C4'-P energy: -10.172
tors. eta vs tors. theta energy: -9.667
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: 5
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -203.266514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.266514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.266514 (E_RNA)
where:
Base-Base interactions energy: -127.572
where: short stacking energy: -54.013
Base-Backbone interact. energy: -0.164
local terms energy: -75.530790
where:
bonds (distance) C4'-P energy: -21.284
bonds (distance) P-C4' energy: -18.249
flat angles C4'-P-C4' energy: -16.921
flat angles P-C4'-P energy: -8.163
tors. eta vs tors. theta energy: -10.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -112.075976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.075976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.075976 (E_RNA)
where:
Base-Base interactions energy: -43.061
where: short stacking energy: -40.537
Base-Backbone interact. energy: 0.153
local terms energy: -69.167631
where:
bonds (distance) C4'-P energy: -16.217
bonds (distance) P-C4' energy: -21.411
flat angles C4'-P-C4' energy: -18.451
flat angles P-C4'-P energy: -8.568
tors. eta vs tors. theta energy: -4.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -96.030776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.030776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.030776 (E_RNA)
where:
Base-Base interactions energy: -43.616
where: short stacking energy: -24.681
Base-Backbone interact. energy: -0.054
local terms energy: -52.360221
where:
bonds (distance) C4'-P energy: -13.860
bonds (distance) P-C4' energy: -12.620
flat angles C4'-P-C4' energy: -15.876
flat angles P-C4'-P energy: -10.132
tors. eta vs tors. theta energy: 0.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -332.134198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.134198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.134198 (E_RNA)
where:
Base-Base interactions energy: -233.308
where: short stacking energy: -95.006
Base-Backbone interact. energy: 0.807
local terms energy: -99.632720
where:
bonds (distance) C4'-P energy: -15.215
bonds (distance) P-C4' energy: -22.143
flat angles C4'-P-C4' energy: -20.700
flat angles P-C4'-P energy: -14.049
tors. eta vs tors. theta energy: -27.526
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: 2
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -322.035071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.035071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.035071 (E_RNA)
where:
Base-Base interactions energy: -220.779
where: short stacking energy: -89.323
Base-Backbone interact. energy: -0.657
local terms energy: -100.598526
where:
bonds (distance) C4'-P energy: -14.484
bonds (distance) P-C4' energy: -21.528
flat angles C4'-P-C4' energy: -23.115
flat angles P-C4'-P energy: -13.774
tors. eta vs tors. theta energy: -27.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -301.913542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.913542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.913542 (E_RNA)
where:
Base-Base interactions energy: -195.287
where: short stacking energy: -90.025
Base-Backbone interact. energy: -0.153
local terms energy: -106.473419
where:
bonds (distance) C4'-P energy: -22.911
bonds (distance) P-C4' energy: -18.716
flat angles C4'-P-C4' energy: -22.065
flat angles P-C4'-P energy: -12.837
tors. eta vs tors. theta energy: -29.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -287.286711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.286711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.286711 (E_RNA)
where:
Base-Base interactions energy: -186.308
where: short stacking energy: -76.171
Base-Backbone interact. energy: -0.056
local terms energy: -100.922177
where:
bonds (distance) C4'-P energy: -22.981
bonds (distance) P-C4' energy: -22.567
flat angles C4'-P-C4' energy: -19.280
flat angles P-C4'-P energy: -14.294
tors. eta vs tors. theta energy: -21.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -271.962504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.962504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.962504 (E_RNA)
where:
Base-Base interactions energy: -181.569
where: short stacking energy: -82.832
Base-Backbone interact. energy: -0.503
local terms energy: -89.889926
where:
bonds (distance) C4'-P energy: -20.881
bonds (distance) P-C4' energy: -14.935
flat angles C4'-P-C4' energy: -20.111
flat angles P-C4'-P energy: -12.597
tors. eta vs tors. theta energy: -21.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -229.408384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.408384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.408384 (E_RNA)
where:
Base-Base interactions energy: -157.893
where: short stacking energy: -82.322
Base-Backbone interact. energy: -0.081
local terms energy: -71.434450
where:
bonds (distance) C4'-P energy: -11.604
bonds (distance) P-C4' energy: -17.318
flat angles C4'-P-C4' energy: -17.949
flat angles P-C4'-P energy: -4.391
tors. eta vs tors. theta energy: -20.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -212.974540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.974540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.974540 (E_RNA)
where:
Base-Base interactions energy: -126.819
where: short stacking energy: -73.645
Base-Backbone interact. energy: -0.505
local terms energy: -85.650276
where:
bonds (distance) C4'-P energy: -17.023
bonds (distance) P-C4' energy: -19.758
flat angles C4'-P-C4' energy: -13.743
flat angles P-C4'-P energy: -14.013
tors. eta vs tors. theta energy: -21.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -121.249265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.249265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.249265 (E_RNA)
where:
Base-Base interactions energy: -47.828
where: short stacking energy: -44.593
Base-Backbone interact. energy: -0.146
local terms energy: -73.275481
where:
bonds (distance) C4'-P energy: -18.580
bonds (distance) P-C4' energy: -21.784
flat angles C4'-P-C4' energy: -14.335
flat angles P-C4'-P energy: -11.788
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: 5
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -229.532204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.532204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.532204 (E_RNA)
where:
Base-Base interactions energy: -151.010
where: short stacking energy: -58.644
Base-Backbone interact. energy: -0.701
local terms energy: -77.821057
where:
bonds (distance) C4'-P energy: -16.925
bonds (distance) P-C4' energy: -19.763
flat angles C4'-P-C4' energy: -18.195
flat angles P-C4'-P energy: -11.213
tors. eta vs tors. theta energy: -11.726
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: 1
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -90.375205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.375205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.375205 (E_RNA)
where:
Base-Base interactions energy: -34.966
where: short stacking energy: -26.076
Base-Backbone interact. energy: -0.369
local terms energy: -55.040601
where:
bonds (distance) C4'-P energy: -12.748
bonds (distance) P-C4' energy: -23.379
flat angles C4'-P-C4' energy: -9.410
flat angles P-C4'-P energy: -10.585
tors. eta vs tors. theta energy: 1.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -335.045675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.045675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.045675 (E_RNA)
where:
Base-Base interactions energy: -226.772
where: short stacking energy: -89.636
Base-Backbone interact. energy: -0.002
local terms energy: -108.271367
where:
bonds (distance) C4'-P energy: -22.417
bonds (distance) P-C4' energy: -22.674
flat angles C4'-P-C4' energy: -20.031
flat angles P-C4'-P energy: -16.839
tors. eta vs tors. theta energy: -26.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -329.124629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.124629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.124629 (E_RNA)
where:
Base-Base interactions energy: -229.125
where: short stacking energy: -98.622
Base-Backbone interact. energy: -0.162
local terms energy: -99.838104
where:
bonds (distance) C4'-P energy: -19.838
bonds (distance) P-C4' energy: -25.129
flat angles C4'-P-C4' energy: -19.673
flat angles P-C4'-P energy: -8.947
tors. eta vs tors. theta energy: -26.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -297.238498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.238498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.238498 (E_RNA)
where:
Base-Base interactions energy: -197.199
where: short stacking energy: -93.605
Base-Backbone interact. energy: -0.062
local terms energy: -99.977582
where:
bonds (distance) C4'-P energy: -19.938
bonds (distance) P-C4' energy: -21.073
flat angles C4'-P-C4' energy: -17.906
flat angles P-C4'-P energy: -15.859
tors. eta vs tors. theta energy: -25.201
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: 3
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -283.931165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.931165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.931165 (E_RNA)
where:
Base-Base interactions energy: -184.300
where: short stacking energy: -81.856
Base-Backbone interact. energy: -1.003
local terms energy: -98.628791
where:
bonds (distance) C4'-P energy: -22.704
bonds (distance) P-C4' energy: -19.823
flat angles C4'-P-C4' energy: -16.658
flat angles P-C4'-P energy: -15.426
tors. eta vs tors. theta energy: -24.018
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: 8
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -276.028213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.028213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.028213 (E_RNA)
where:
Base-Base interactions energy: -191.476
where: short stacking energy: -77.361
Base-Backbone interact. energy: -0.408
local terms energy: -84.143899
where:
bonds (distance) C4'-P energy: -21.163
bonds (distance) P-C4' energy: -17.014
flat angles C4'-P-C4' energy: -16.840
flat angles P-C4'-P energy: -10.739
tors. eta vs tors. theta energy: -18.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -216.198474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.198474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.198474 (E_RNA)
where:
Base-Base interactions energy: -132.090
where: short stacking energy: -59.699
Base-Backbone interact. energy: -0.401
local terms energy: -83.708017
where:
bonds (distance) C4'-P energy: -18.742
bonds (distance) P-C4' energy: -18.956
flat angles C4'-P-C4' energy: -17.832
flat angles P-C4'-P energy: -11.203
tors. eta vs tors. theta energy: -16.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -180.132231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.132231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.132231 (E_RNA)
where:
Base-Base interactions energy: -107.731
where: short stacking energy: -58.305
Base-Backbone interact. energy: -0.258
local terms energy: -72.143904
where:
bonds (distance) C4'-P energy: -13.790
bonds (distance) P-C4' energy: -21.966
flat angles C4'-P-C4' energy: -13.441
flat angles P-C4'-P energy: -9.328
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: 8, replica: 9
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -107.903132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.903132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.903132 (E_RNA)
where:
Base-Base interactions energy: -49.840
where: short stacking energy: -40.740
Base-Backbone interact. energy: 0.402
local terms energy: -58.464885
where:
bonds (distance) C4'-P energy: -16.590
bonds (distance) P-C4' energy: -18.601
flat angles C4'-P-C4' energy: -6.557
flat angles P-C4'-P energy: -11.609
tors. eta vs tors. theta energy: -5.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -223.112128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.112128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.112128 (E_RNA)
where:
Base-Base interactions energy: -143.742
where: short stacking energy: -61.886
Base-Backbone interact. energy: -0.101
local terms energy: -79.269883
where:
bonds (distance) C4'-P energy: -15.723
bonds (distance) P-C4' energy: -21.225
flat angles C4'-P-C4' energy: -16.651
flat angles P-C4'-P energy: -15.413
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: 10, replica: 1
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -107.682456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.682456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.682456 (E_RNA)
where:
Base-Base interactions energy: -35.577
where: short stacking energy: -35.445
Base-Backbone interact. energy: -0.043
local terms energy: -72.062864
where:
bonds (distance) C4'-P energy: -18.150
bonds (distance) P-C4' energy: -17.318
flat angles C4'-P-C4' energy: -23.078
flat angles P-C4'-P energy: -11.062
tors. eta vs tors. theta energy: -2.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -338.483906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.483906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.483906 (E_RNA)
where:
Base-Base interactions energy: -229.398
where: short stacking energy: -97.128
Base-Backbone interact. energy: -0.106
local terms energy: -108.979961
where:
bonds (distance) C4'-P energy: -21.394
bonds (distance) P-C4' energy: -23.219
flat angles C4'-P-C4' energy: -21.805
flat angles P-C4'-P energy: -15.731
tors. eta vs tors. theta energy: -26.831
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: 85
Temperature: 0.950000
Total energy: -327.223440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.223440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.223440 (E_RNA)
where:
Base-Base interactions energy: -222.268
where: short stacking energy: -95.422
Base-Backbone interact. energy: -0.126
local terms energy: -104.828957
where:
bonds (distance) C4'-P energy: -20.953
bonds (distance) P-C4' energy: -19.647
flat angles C4'-P-C4' energy: -21.831
flat angles P-C4'-P energy: -12.014
tors. eta vs tors. theta energy: -30.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -308.036313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.036313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.036313 (E_RNA)
where:
Base-Base interactions energy: -205.626
where: short stacking energy: -92.588
Base-Backbone interact. energy: -0.339
local terms energy: -102.071651
where:
bonds (distance) C4'-P energy: -17.611
bonds (distance) P-C4' energy: -21.208
flat angles C4'-P-C4' energy: -20.991
flat angles P-C4'-P energy: -11.278
tors. eta vs tors. theta energy: -30.984
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: 3
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -294.336928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.336928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.336928 (E_RNA)
where:
Base-Base interactions energy: -201.000
where: short stacking energy: -92.441
Base-Backbone interact. energy: -0.003
local terms energy: -93.333711
where:
bonds (distance) C4'-P energy: -21.222
bonds (distance) P-C4' energy: -18.711
flat angles C4'-P-C4' energy: -18.374
flat angles P-C4'-P energy: -15.221
tors. eta vs tors. theta energy: -19.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -282.430321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.430321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.430321 (E_RNA)
where:
Base-Base interactions energy: -195.452
where: short stacking energy: -79.033
Base-Backbone interact. energy: -0.604
local terms energy: -86.374908
where:
bonds (distance) C4'-P energy: -17.442
bonds (distance) P-C4' energy: -20.464
flat angles C4'-P-C4' energy: -18.780
flat angles P-C4'-P energy: -5.693
tors. eta vs tors. theta energy: -23.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -207.975903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.975903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.975903 (E_RNA)
where:
Base-Base interactions energy: -136.854
where: short stacking energy: -56.060
Base-Backbone interact. energy: -0.786
local terms energy: -70.335530
where:
bonds (distance) C4'-P energy: -16.113
bonds (distance) P-C4' energy: -16.917
flat angles C4'-P-C4' energy: -13.258
flat angles P-C4'-P energy: -14.040
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: 7, replica: 10
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -194.516151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.516151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.516151 (E_RNA)
where:
Base-Base interactions energy: -106.654
where: short stacking energy: -58.235
Base-Backbone interact. energy: -0.086
local terms energy: -87.775776
where:
bonds (distance) C4'-P energy: -19.653
bonds (distance) P-C4' energy: -18.076
flat angles C4'-P-C4' energy: -19.282
flat angles P-C4'-P energy: -13.775
tors. eta vs tors. theta energy: -16.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -243.342425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.342425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.342425 (E_RNA)
where:
Base-Base interactions energy: -160.908
where: short stacking energy: -79.924
Base-Backbone interact. energy: 0.377
local terms energy: -82.811564
where:
bonds (distance) C4'-P energy: -20.117
bonds (distance) P-C4' energy: -18.785
flat angles C4'-P-C4' energy: -18.636
flat angles P-C4'-P energy: -3.457
tors. eta vs tors. theta energy: -21.816
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: 9
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -124.532648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.532648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.532648 (E_RNA)
where:
Base-Base interactions energy: -59.286
where: short stacking energy: -32.521
Base-Backbone interact. energy: -0.420
local terms energy: -64.826129
where:
bonds (distance) C4'-P energy: -22.811
bonds (distance) P-C4' energy: -19.006
flat angles C4'-P-C4' energy: -13.593
flat angles P-C4'-P energy: -6.956
tors. eta vs tors. theta energy: -2.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -92.355091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.355091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.355091 (E_RNA)
where:
Base-Base interactions energy: -34.805
where: short stacking energy: -34.805
Base-Backbone interact. energy: -0.464
local terms energy: -57.086564
where:
bonds (distance) C4'-P energy: -16.859
bonds (distance) P-C4' energy: -18.156
flat angles C4'-P-C4' energy: -18.132
flat angles P-C4'-P energy: -2.225
tors. eta vs tors. theta energy: -1.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -336.376130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.376130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.376130 (E_RNA)
where:
Base-Base interactions energy: -235.554
where: short stacking energy: -103.120
Base-Backbone interact. energy: -0.103
local terms energy: -100.718762
where:
bonds (distance) C4'-P energy: -19.045
bonds (distance) P-C4' energy: -16.308
flat angles C4'-P-C4' energy: -22.558
flat angles P-C4'-P energy: -16.392
tors. eta vs tors. theta energy: -26.416
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: 2
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -329.612532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.612532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.612532 (E_RNA)
where:
Base-Base interactions energy: -228.885
where: short stacking energy: -100.045
Base-Backbone interact. energy: -0.072
local terms energy: -100.656098
where:
bonds (distance) C4'-P energy: -16.965
bonds (distance) P-C4' energy: -21.489
flat angles C4'-P-C4' energy: -20.229
flat angles P-C4'-P energy: -13.046
tors. eta vs tors. theta energy: -28.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -288.651095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.651095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.651095 (E_RNA)
where:
Base-Base interactions energy: -194.886
where: short stacking energy: -75.952
Base-Backbone interact. energy: -0.087
local terms energy: -93.677713
where:
bonds (distance) C4'-P energy: -14.150
bonds (distance) P-C4' energy: -18.267
flat angles C4'-P-C4' energy: -24.413
flat angles P-C4'-P energy: -15.633
tors. eta vs tors. theta energy: -21.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -299.496055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.496055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.496055 (E_RNA)
where:
Base-Base interactions energy: -205.002
where: short stacking energy: -95.687
Base-Backbone interact. energy: 1.365
local terms energy: -95.859440
where:
bonds (distance) C4'-P energy: -17.662
bonds (distance) P-C4' energy: -16.703
flat angles C4'-P-C4' energy: -18.959
flat angles P-C4'-P energy: -13.698
tors. eta vs tors. theta energy: -28.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -307.660674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.660674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.660674 (E_RNA)
where:
Base-Base interactions energy: -209.865
where: short stacking energy: -91.582
Base-Backbone interact. energy: -0.600
local terms energy: -97.196099
where:
bonds (distance) C4'-P energy: -16.291
bonds (distance) P-C4' energy: -20.683
flat angles C4'-P-C4' energy: -20.571
flat angles P-C4'-P energy: -14.342
tors. eta vs tors. theta energy: -25.309
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: 4
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -224.564672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.564672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.564672 (E_RNA)
where:
Base-Base interactions energy: -141.524
where: short stacking energy: -88.864
Base-Backbone interact. energy: 2.566
local terms energy: -85.607339
where:
bonds (distance) C4'-P energy: -17.513
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -21.551
flat angles P-C4'-P energy: -8.878
tors. eta vs tors. theta energy: -20.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -244.489425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.489425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.489425 (E_RNA)
where:
Base-Base interactions energy: -156.228
where: short stacking energy: -71.534
Base-Backbone interact. energy: -0.609
local terms energy: -87.652649
where:
bonds (distance) C4'-P energy: -19.932
bonds (distance) P-C4' energy: -21.606
flat angles C4'-P-C4' energy: -15.270
flat angles P-C4'-P energy: -12.718
tors. eta vs tors. theta energy: -18.127
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: 8, replica: 10
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -201.428583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.428583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.428583 (E_RNA)
where:
Base-Base interactions energy: -123.971
where: short stacking energy: -59.923
Base-Backbone interact. energy: 1.523
local terms energy: -78.980377
where:
bonds (distance) C4'-P energy: -14.626
bonds (distance) P-C4' energy: -21.098
flat angles C4'-P-C4' energy: -21.366
flat angles P-C4'-P energy: -15.392
tors. eta vs tors. theta energy: -6.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -121.561368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.561368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.561368 (E_RNA)
where:
Base-Base interactions energy: -60.305
where: short stacking energy: -31.856
Base-Backbone interact. energy: -0.368
local terms energy: -60.887654
where:
bonds (distance) C4'-P energy: -18.063
bonds (distance) P-C4' energy: -21.281
flat angles C4'-P-C4' energy: -14.597
flat angles P-C4'-P energy: -6.852
tors. eta vs tors. theta energy: -0.094
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: 86
Temperature: 1.350000
Total energy: -92.956723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.956723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.956723 (E_RNA)
where:
Base-Base interactions energy: -36.279
where: short stacking energy: -34.168
Base-Backbone interact. energy: -0.178
local terms energy: -56.500087
where:
bonds (distance) C4'-P energy: -14.734
bonds (distance) P-C4' energy: -16.757
flat angles C4'-P-C4' energy: -7.524
flat angles P-C4'-P energy: -10.755
tors. eta vs tors. theta energy: -6.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -333.563412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.563412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.563412 (E_RNA)
where:
Base-Base interactions energy: -225.252
where: short stacking energy: -92.830
Base-Backbone interact. energy: -1.060
local terms energy: -107.251423
where:
bonds (distance) C4'-P energy: -22.812
bonds (distance) P-C4' energy: -23.257
flat angles C4'-P-C4' energy: -21.946
flat angles P-C4'-P energy: -14.963
tors. eta vs tors. theta energy: -24.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -332.460875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.460875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.460875 (E_RNA)
where:
Base-Base interactions energy: -231.548
where: short stacking energy: -93.073
Base-Backbone interact. energy: 0.069
local terms energy: -100.981480
where:
bonds (distance) C4'-P energy: -19.347
bonds (distance) P-C4' energy: -19.452
flat angles C4'-P-C4' energy: -19.604
flat angles P-C4'-P energy: -15.024
tors. eta vs tors. theta energy: -27.555
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: 3
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -286.167857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.167857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.167857 (E_RNA)
where:
Base-Base interactions energy: -193.379
where: short stacking energy: -84.826
Base-Backbone interact. energy: -0.004
local terms energy: -92.785661
where:
bonds (distance) C4'-P energy: -13.448
bonds (distance) P-C4' energy: -19.661
flat angles C4'-P-C4' energy: -19.039
flat angles P-C4'-P energy: -15.847
tors. eta vs tors. theta energy: -24.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -277.521515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.521515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.521515 (E_RNA)
where:
Base-Base interactions energy: -189.539
where: short stacking energy: -79.521
Base-Backbone interact. energy: 0.382
local terms energy: -88.364820
where:
bonds (distance) C4'-P energy: -17.338
bonds (distance) P-C4' energy: -16.416
flat angles C4'-P-C4' energy: -19.699
flat angles P-C4'-P energy: -13.360
tors. eta vs tors. theta energy: -21.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -293.842650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.842650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.842650 (E_RNA)
where:
Base-Base interactions energy: -200.864
where: short stacking energy: -91.226
Base-Backbone interact. energy: -0.172
local terms energy: -92.807029
where:
bonds (distance) C4'-P energy: -18.745
bonds (distance) P-C4' energy: -17.417
flat angles C4'-P-C4' energy: -23.548
flat angles P-C4'-P energy: -8.659
tors. eta vs tors. theta energy: -24.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -245.189638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.189638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.189638 (E_RNA)
where:
Base-Base interactions energy: -165.910
where: short stacking energy: -73.942
Base-Backbone interact. energy: 0.040
local terms energy: -79.319681
where:
bonds (distance) C4'-P energy: -17.256
bonds (distance) P-C4' energy: -16.422
flat angles C4'-P-C4' energy: -18.697
flat angles P-C4'-P energy: -6.752
tors. eta vs tors. theta energy: -20.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -227.496384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.496384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.496384 (E_RNA)
where:
Base-Base interactions energy: -139.660
where: short stacking energy: -70.473
Base-Backbone interact. energy: -0.352
local terms energy: -87.484327
where:
bonds (distance) C4'-P energy: -19.216
bonds (distance) P-C4' energy: -15.994
flat angles C4'-P-C4' energy: -17.505
flat angles P-C4'-P energy: -13.950
tors. eta vs tors. theta energy: -20.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -183.835026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.835026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.835026 (E_RNA)
where:
Base-Base interactions energy: -104.333
where: short stacking energy: -55.008
Base-Backbone interact. energy: -0.092
local terms energy: -79.410278
where:
bonds (distance) C4'-P energy: -21.217
bonds (distance) P-C4' energy: -16.319
flat angles C4'-P-C4' energy: -19.836
flat angles P-C4'-P energy: -5.279
tors. eta vs tors. theta energy: -16.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -114.468528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.468528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.468528 (E_RNA)
where:
Base-Base interactions energy: -51.360
where: short stacking energy: -30.155
Base-Backbone interact. energy: -0.466
local terms energy: -62.641959
where:
bonds (distance) C4'-P energy: -12.312
bonds (distance) P-C4' energy: -22.377
flat angles C4'-P-C4' energy: -20.552
flat angles P-C4'-P energy: -8.687
tors. eta vs tors. theta energy: 1.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -85.058316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.058316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.058316 (E_RNA)
where:
Base-Base interactions energy: -26.260
where: short stacking energy: -17.701
Base-Backbone interact. energy: -1.661
local terms energy: -57.137589
where:
bonds (distance) C4'-P energy: -17.807
bonds (distance) P-C4' energy: -15.451
flat angles C4'-P-C4' energy: -16.216
flat angles P-C4'-P energy: -7.801
tors. eta vs tors. theta energy: 0.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -331.186301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.186301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.186301 (E_RNA)
where:
Base-Base interactions energy: -228.726
where: short stacking energy: -98.966
Base-Backbone interact. energy: 0.265
local terms energy: -102.725838
where:
bonds (distance) C4'-P energy: -20.811
bonds (distance) P-C4' energy: -18.285
flat angles C4'-P-C4' energy: -19.058
flat angles P-C4'-P energy: -17.061
tors. eta vs tors. theta energy: -27.511
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: 2
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -324.030283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.030283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.030283 (E_RNA)
where:
Base-Base interactions energy: -222.701
where: short stacking energy: -95.491
Base-Backbone interact. energy: -0.657
local terms energy: -100.672309
where:
bonds (distance) C4'-P energy: -19.196
bonds (distance) P-C4' energy: -20.764
flat angles C4'-P-C4' energy: -21.221
flat angles P-C4'-P energy: -12.231
tors. eta vs tors. theta energy: -27.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -293.391275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.391275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.391275 (E_RNA)
where:
Base-Base interactions energy: -195.916
where: short stacking energy: -72.272
Base-Backbone interact. energy: -0.634
local terms energy: -96.841550
where:
bonds (distance) C4'-P energy: -18.751
bonds (distance) P-C4' energy: -22.818
flat angles C4'-P-C4' energy: -19.041
flat angles P-C4'-P energy: -14.630
tors. eta vs tors. theta energy: -21.602
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: 3
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -266.278870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.278870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.278870 (E_RNA)
where:
Base-Base interactions energy: -182.490
where: short stacking energy: -70.858
Base-Backbone interact. energy: -0.192
local terms energy: -83.596889
where:
bonds (distance) C4'-P energy: -17.925
bonds (distance) P-C4' energy: -20.899
flat angles C4'-P-C4' energy: -17.906
flat angles P-C4'-P energy: -8.349
tors. eta vs tors. theta energy: -18.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -265.338860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.338860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.338860 (E_RNA)
where:
Base-Base interactions energy: -182.670
where: short stacking energy: -69.485
Base-Backbone interact. energy: -0.176
local terms energy: -82.492304
where:
bonds (distance) C4'-P energy: -13.066
bonds (distance) P-C4' energy: -23.334
flat angles C4'-P-C4' energy: -19.669
flat angles P-C4'-P energy: -13.816
tors. eta vs tors. theta energy: -12.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -269.844898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.844898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.844898 (E_RNA)
where:
Base-Base interactions energy: -177.068
where: short stacking energy: -75.621
Base-Backbone interact. energy: -0.041
local terms energy: -92.735623
where:
bonds (distance) C4'-P energy: -17.891
bonds (distance) P-C4' energy: -18.622
flat angles C4'-P-C4' energy: -17.072
flat angles P-C4'-P energy: -13.129
tors. eta vs tors. theta energy: -26.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -230.321814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.321814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.321814 (E_RNA)
where:
Base-Base interactions energy: -146.428
where: short stacking energy: -71.459
Base-Backbone interact. energy: -0.190
local terms energy: -83.703483
where:
bonds (distance) C4'-P energy: -16.035
bonds (distance) P-C4' energy: -18.932
flat angles C4'-P-C4' energy: -21.058
flat angles P-C4'-P energy: -9.935
tors. eta vs tors. theta energy: -17.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -171.157041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.157041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.157041 (E_RNA)
where:
Base-Base interactions energy: -99.791
where: short stacking energy: -56.214
Base-Backbone interact. energy: -0.090
local terms energy: -71.275826
where:
bonds (distance) C4'-P energy: -20.268
bonds (distance) P-C4' energy: -20.062
flat angles C4'-P-C4' energy: -11.653
flat angles P-C4'-P energy: -10.435
tors. eta vs tors. theta energy: -8.857
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: 1
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -129.852954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.852954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.852954 (E_RNA)
where:
Base-Base interactions energy: -64.465
where: short stacking energy: -48.146
Base-Backbone interact. energy: 1.975
local terms energy: -67.362915
where:
bonds (distance) C4'-P energy: -18.521
bonds (distance) P-C4' energy: -22.952
flat angles C4'-P-C4' energy: -15.606
flat angles P-C4'-P energy: -3.426
tors. eta vs tors. theta energy: -6.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -97.480472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.480472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.480472 (E_RNA)
where:
Base-Base interactions energy: -39.588
where: short stacking energy: -34.417
Base-Backbone interact. energy: -0.273
local terms energy: -57.619580
where:
bonds (distance) C4'-P energy: -16.042
bonds (distance) P-C4' energy: -19.163
flat angles C4'-P-C4' energy: -11.756
flat angles P-C4'-P energy: -12.378
tors. eta vs tors. theta energy: 1.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -329.112157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.112157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.112157 (E_RNA)
where:
Base-Base interactions energy: -234.795
where: short stacking energy: -92.439
Base-Backbone interact. energy: -0.108
local terms energy: -94.208992
where:
bonds (distance) C4'-P energy: -19.209
bonds (distance) P-C4' energy: -18.636
flat angles C4'-P-C4' energy: -19.649
flat angles P-C4'-P energy: -13.627
tors. eta vs tors. theta energy: -23.089
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: 2
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -320.545346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.545346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.545346 (E_RNA)
where:
Base-Base interactions energy: -222.669
where: short stacking energy: -96.490
Base-Backbone interact. energy: -0.088
local terms energy: -97.788237
where:
bonds (distance) C4'-P energy: -16.415
bonds (distance) P-C4' energy: -20.292
flat angles C4'-P-C4' energy: -21.106
flat angles P-C4'-P energy: -15.738
tors. eta vs tors. theta energy: -24.238
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: 8
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -308.291278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.291278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.291278 (E_RNA)
where:
Base-Base interactions energy: -214.016
where: short stacking energy: -86.247
Base-Backbone interact. energy: -0.368
local terms energy: -93.906844
where:
bonds (distance) C4'-P energy: -20.182
bonds (distance) P-C4' energy: -21.580
flat angles C4'-P-C4' energy: -21.850
flat angles P-C4'-P energy: -7.280
tors. eta vs tors. theta energy: -23.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -279.853072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.853072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.853072 (E_RNA)
where:
Base-Base interactions energy: -191.319
where: short stacking energy: -77.004
Base-Backbone interact. energy: -0.098
local terms energy: -88.436201
where:
bonds (distance) C4'-P energy: -16.444
bonds (distance) P-C4' energy: -22.469
flat angles C4'-P-C4' energy: -19.307
flat angles P-C4'-P energy: -13.202
tors. eta vs tors. theta energy: -17.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -277.765231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.765231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.765231 (E_RNA)
where:
Base-Base interactions energy: -192.172
where: short stacking energy: -76.012
Base-Backbone interact. energy: -0.075
local terms energy: -85.518451
where:
bonds (distance) C4'-P energy: -15.276
bonds (distance) P-C4' energy: -21.046
flat angles C4'-P-C4' energy: -21.477
flat angles P-C4'-P energy: -7.135
tors. eta vs tors. theta energy: -20.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -274.710580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.710580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.710580 (E_RNA)
where:
Base-Base interactions energy: -169.682
where: short stacking energy: -80.323
Base-Backbone interact. energy: -0.123
local terms energy: -104.905431
where:
bonds (distance) C4'-P energy: -19.035
bonds (distance) P-C4' energy: -24.693
flat angles C4'-P-C4' energy: -20.948
flat angles P-C4'-P energy: -14.097
tors. eta vs tors. theta energy: -26.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -219.805186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.805186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.805186 (E_RNA)
where:
Base-Base interactions energy: -138.785
where: short stacking energy: -60.643
Base-Backbone interact. energy: -0.032
local terms energy: -80.988518
where:
bonds (distance) C4'-P energy: -18.674
bonds (distance) P-C4' energy: -14.685
flat angles C4'-P-C4' energy: -13.738
flat angles P-C4'-P energy: -15.446
tors. eta vs tors. theta energy: -18.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -150.509639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.509639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.509639 (E_RNA)
where:
Base-Base interactions energy: -84.937
where: short stacking energy: -43.254
Base-Backbone interact. energy: -0.352
local terms energy: -65.219989
where:
bonds (distance) C4'-P energy: -18.433
bonds (distance) P-C4' energy: -17.523
flat angles C4'-P-C4' energy: -15.958
flat angles P-C4'-P energy: -10.506
tors. eta vs tors. theta energy: -2.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -99.458342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.458342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.458342 (E_RNA)
where:
Base-Base interactions energy: -31.306
where: short stacking energy: -30.351
Base-Backbone interact. energy: 2.050
local terms energy: -70.203098
where:
bonds (distance) C4'-P energy: -15.293
bonds (distance) P-C4' energy: -21.129
flat angles C4'-P-C4' energy: -22.228
flat angles P-C4'-P energy: -9.232
tors. eta vs tors. theta energy: -2.322
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: 89
Temperature: 1.350000
Total energy: -108.293062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.293062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.293062 (E_RNA)
where:
Base-Base interactions energy: -45.521
where: short stacking energy: -39.370
Base-Backbone interact. energy: 0.116
local terms energy: -62.888642
where:
bonds (distance) C4'-P energy: -19.181
bonds (distance) P-C4' energy: -21.256
flat angles C4'-P-C4' energy: -3.597
flat angles P-C4'-P energy: -11.809
tors. eta vs tors. theta energy: -7.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -324.493926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.493926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.493926 (E_RNA)
where:
Base-Base interactions energy: -226.417
where: short stacking energy: -97.815
Base-Backbone interact. energy: -0.280
local terms energy: -97.796921
where:
bonds (distance) C4'-P energy: -22.393
bonds (distance) P-C4' energy: -18.007
flat angles C4'-P-C4' energy: -21.594
flat angles P-C4'-P energy: -9.414
tors. eta vs tors. theta energy: -26.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -319.035179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.035179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.035179 (E_RNA)
where:
Base-Base interactions energy: -222.098
where: short stacking energy: -89.441
Base-Backbone interact. energy: -0.920
local terms energy: -96.016958
where:
bonds (distance) C4'-P energy: -19.881
bonds (distance) P-C4' energy: -20.914
flat angles C4'-P-C4' energy: -19.868
flat angles P-C4'-P energy: -15.040
tors. eta vs tors. theta energy: -20.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -287.639486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.639486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.639486 (E_RNA)
where:
Base-Base interactions energy: -195.284
where: short stacking energy: -81.182
Base-Backbone interact. energy: -0.125
local terms energy: -92.230171
where:
bonds (distance) C4'-P energy: -14.201
bonds (distance) P-C4' energy: -20.463
flat angles C4'-P-C4' energy: -20.483
flat angles P-C4'-P energy: -15.211
tors. eta vs tors. theta energy: -21.872
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: 4, replica: 3
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -284.752419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.752419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.752419 (E_RNA)
where:
Base-Base interactions energy: -204.845
where: short stacking energy: -84.189
Base-Backbone interact. energy: -0.095
local terms energy: -79.813136
where:
bonds (distance) C4'-P energy: -14.292
bonds (distance) P-C4' energy: -22.268
flat angles C4'-P-C4' energy: -18.067
flat angles P-C4'-P energy: -5.810
tors. eta vs tors. theta energy: -19.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -283.902928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.902928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.902928 (E_RNA)
where:
Base-Base interactions energy: -181.910
where: short stacking energy: -87.512
Base-Backbone interact. energy: -0.118
local terms energy: -101.875102
where:
bonds (distance) C4'-P energy: -23.549
bonds (distance) P-C4' energy: -14.204
flat angles C4'-P-C4' energy: -18.997
flat angles P-C4'-P energy: -18.273
tors. eta vs tors. theta energy: -26.852
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: 5
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -264.160863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.160863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.160863 (E_RNA)
where:
Base-Base interactions energy: -183.907
where: short stacking energy: -75.259
Base-Backbone interact. energy: -0.512
local terms energy: -79.742049
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -19.706
flat angles C4'-P-C4' energy: -18.544
flat angles P-C4'-P energy: -7.027
tors. eta vs tors. theta energy: -20.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -150.713537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.713537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.713537 (E_RNA)
where:
Base-Base interactions energy: -77.855
where: short stacking energy: -44.458
Base-Backbone interact. energy: -0.528
local terms energy: -72.330538
where:
bonds (distance) C4'-P energy: -19.844
bonds (distance) P-C4' energy: -18.676
flat angles C4'-P-C4' energy: -16.137
flat angles P-C4'-P energy: -11.625
tors. eta vs tors. theta energy: -6.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -194.479786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.479786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.479786 (E_RNA)
where:
Base-Base interactions energy: -125.145
where: short stacking energy: -63.419
Base-Backbone interact. energy: -0.258
local terms energy: -69.076777
where:
bonds (distance) C4'-P energy: -17.980
bonds (distance) P-C4' energy: -14.314
flat angles C4'-P-C4' energy: -6.163
flat angles P-C4'-P energy: -12.689
tors. eta vs tors. theta energy: -17.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -104.519107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.519107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.519107 (E_RNA)
where:
Base-Base interactions energy: -35.295
where: short stacking energy: -28.077
Base-Backbone interact. energy: -1.301
local terms energy: -67.922782
where:
bonds (distance) C4'-P energy: -16.026
bonds (distance) P-C4' energy: -15.900
flat angles C4'-P-C4' energy: -17.523
flat angles P-C4'-P energy: -13.462
tors. eta vs tors. theta energy: -5.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -98.378067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.378067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.378067 (E_RNA)
where:
Base-Base interactions energy: -45.867
where: short stacking energy: -30.420
Base-Backbone interact. energy: -0.206
local terms energy: -52.304670
where:
bonds (distance) C4'-P energy: -13.472
bonds (distance) P-C4' energy: -24.010
flat angles C4'-P-C4' energy: -10.724
flat angles P-C4'-P energy: -5.787
tors. eta vs tors. theta energy: 1.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -320.239523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.239523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.239523 (E_RNA)
where:
Base-Base interactions energy: -216.536
where: short stacking energy: -92.235
Base-Backbone interact. energy: -0.286
local terms energy: -103.417644
where:
bonds (distance) C4'-P energy: -21.924
bonds (distance) P-C4' energy: -21.752
flat angles C4'-P-C4' energy: -18.267
flat angles P-C4'-P energy: -13.301
tors. eta vs tors. theta energy: -28.173
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: 7
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -328.170107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.170107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.170107 (E_RNA)
where:
Base-Base interactions energy: -226.863
where: short stacking energy: -92.465
Base-Backbone interact. energy: 0.858
local terms energy: -102.164977
where:
bonds (distance) C4'-P energy: -17.296
bonds (distance) P-C4' energy: -23.086
flat angles C4'-P-C4' energy: -22.627
flat angles P-C4'-P energy: -13.531
tors. eta vs tors. theta energy: -25.626
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: 8
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -286.268008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.268008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.268008 (E_RNA)
where:
Base-Base interactions energy: -201.536
where: short stacking energy: -74.286
Base-Backbone interact. energy: -0.170
local terms energy: -84.562035
where:
bonds (distance) C4'-P energy: -19.747
bonds (distance) P-C4' energy: -17.424
flat angles C4'-P-C4' energy: -17.497
flat angles P-C4'-P energy: -12.111
tors. eta vs tors. theta energy: -17.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -282.919510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.919510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.919510 (E_RNA)
where:
Base-Base interactions energy: -189.305
where: short stacking energy: -71.046
Base-Backbone interact. energy: -0.136
local terms energy: -93.478212
where:
bonds (distance) C4'-P energy: -19.512
bonds (distance) P-C4' energy: -22.129
flat angles C4'-P-C4' energy: -19.712
flat angles P-C4'-P energy: -13.101
tors. eta vs tors. theta energy: -19.023
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: 6
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -293.273589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.273589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.273589 (E_RNA)
where:
Base-Base interactions energy: -193.831
where: short stacking energy: -102.759
Base-Backbone interact. energy: -0.122
local terms energy: -99.320344
where:
bonds (distance) C4'-P energy: -15.786
bonds (distance) P-C4' energy: -20.263
flat angles C4'-P-C4' energy: -19.803
flat angles P-C4'-P energy: -16.597
tors. eta vs tors. theta energy: -26.872
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: 5
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -268.888282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.888282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.888282 (E_RNA)
where:
Base-Base interactions energy: -181.273
where: short stacking energy: -73.972
Base-Backbone interact. energy: -0.083
local terms energy: -87.532866
where:
bonds (distance) C4'-P energy: -14.557
bonds (distance) P-C4' energy: -16.155
flat angles C4'-P-C4' energy: -22.492
flat angles P-C4'-P energy: -15.932
tors. eta vs tors. theta energy: -18.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -175.330432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.330432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.330432 (E_RNA)
where:
Base-Base interactions energy: -97.893
where: short stacking energy: -51.547
Base-Backbone interact. energy: -0.215
local terms energy: -77.222036
where:
bonds (distance) C4'-P energy: -18.348
bonds (distance) P-C4' energy: -22.035
flat angles C4'-P-C4' energy: -20.688
flat angles P-C4'-P energy: -8.903
tors. eta vs tors. theta energy: -7.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -205.515558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.515558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.515558 (E_RNA)
where:
Base-Base interactions energy: -126.625
where: short stacking energy: -63.089
Base-Backbone interact. energy: -0.446
local terms energy: -78.444279
where:
bonds (distance) C4'-P energy: -15.307
bonds (distance) P-C4' energy: -19.368
flat angles C4'-P-C4' energy: -17.528
flat angles P-C4'-P energy: -11.739
tors. eta vs tors. theta energy: -14.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -101.847057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.847057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.847057 (E_RNA)
where:
Base-Base interactions energy: -38.048
where: short stacking energy: -22.736
Base-Backbone interact. energy: -0.397
local terms energy: -63.402564
where:
bonds (distance) C4'-P energy: -16.567
bonds (distance) P-C4' energy: -24.660
flat angles C4'-P-C4' energy: -11.684
flat angles P-C4'-P energy: -12.147
tors. eta vs tors. theta energy: 1.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -94.195332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.195332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.195332 (E_RNA)
where:
Base-Base interactions energy: -42.624
where: short stacking energy: -31.866
Base-Backbone interact. energy: -0.380
local terms energy: -51.191643
where:
bonds (distance) C4'-P energy: -21.462
bonds (distance) P-C4' energy: -10.995
flat angles C4'-P-C4' energy: -9.370
flat angles P-C4'-P energy: -7.749
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: 2
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -325.394309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.394309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.394309 (E_RNA)
where:
Base-Base interactions energy: -222.137
where: short stacking energy: -96.745
Base-Backbone interact. energy: 0.808
local terms energy: -104.066195
where:
bonds (distance) C4'-P energy: -19.772
bonds (distance) P-C4' energy: -16.846
flat angles C4'-P-C4' energy: -23.350
flat angles P-C4'-P energy: -14.861
tors. eta vs tors. theta energy: -29.238
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: 2, replica: 7
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -335.891461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.891461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.891461 (E_RNA)
where:
Base-Base interactions energy: -235.601
where: short stacking energy: -104.657
Base-Backbone interact. energy: -0.132
local terms energy: -100.158575
where:
bonds (distance) C4'-P energy: -16.011
bonds (distance) P-C4' energy: -20.980
flat angles C4'-P-C4' energy: -23.066
flat angles P-C4'-P energy: -13.978
tors. eta vs tors. theta energy: -26.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -288.525039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.525039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.525039 (E_RNA)
where:
Base-Base interactions energy: -202.901
where: short stacking energy: -80.036
Base-Backbone interact. energy: -0.012
local terms energy: -85.612338
where:
bonds (distance) C4'-P energy: -18.775
bonds (distance) P-C4' energy: -20.589
flat angles C4'-P-C4' energy: -18.860
flat angles P-C4'-P energy: -11.914
tors. eta vs tors. theta energy: -15.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -280.057927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.057927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.057927 (E_RNA)
where:
Base-Base interactions energy: -187.638
where: short stacking energy: -77.295
Base-Backbone interact. energy: -0.607
local terms energy: -91.812135
where:
bonds (distance) C4'-P energy: -19.922
bonds (distance) P-C4' energy: -23.135
flat angles C4'-P-C4' energy: -15.099
flat angles P-C4'-P energy: -13.146
tors. eta vs tors. theta energy: -20.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -291.214195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.214195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.214195 (E_RNA)
where:
Base-Base interactions energy: -196.568
where: short stacking energy: -84.289
Base-Backbone interact. energy: -0.252
local terms energy: -94.393943
where:
bonds (distance) C4'-P energy: -21.500
bonds (distance) P-C4' energy: -20.744
flat angles C4'-P-C4' energy: -17.995
flat angles P-C4'-P energy: -13.969
tors. eta vs tors. theta energy: -20.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -292.325957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.325957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.325957 (E_RNA)
where:
Base-Base interactions energy: -196.343
where: short stacking energy: -90.294
Base-Backbone interact. energy: -0.363
local terms energy: -95.620126
where:
bonds (distance) C4'-P energy: -20.315
bonds (distance) P-C4' energy: -17.368
flat angles C4'-P-C4' energy: -20.628
flat angles P-C4'-P energy: -10.691
tors. eta vs tors. theta energy: -26.618
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: 4
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -218.489842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.489842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.489842 (E_RNA)
where:
Base-Base interactions energy: -142.289
where: short stacking energy: -64.402
Base-Backbone interact. energy: 0.377
local terms energy: -76.577239
where:
bonds (distance) C4'-P energy: -16.729
bonds (distance) P-C4' energy: -14.521
flat angles C4'-P-C4' energy: -20.249
flat angles P-C4'-P energy: -11.925
tors. eta vs tors. theta energy: -13.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -172.683214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.683214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.683214 (E_RNA)
where:
Base-Base interactions energy: -104.574
where: short stacking energy: -43.788
Base-Backbone interact. energy: -0.304
local terms energy: -67.805576
where:
bonds (distance) C4'-P energy: -16.080
bonds (distance) P-C4' energy: -19.445
flat angles C4'-P-C4' energy: -14.040
flat angles P-C4'-P energy: -8.585
tors. eta vs tors. theta energy: -9.655
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: 1
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -122.734446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.734446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.734446 (E_RNA)
where:
Base-Base interactions energy: -47.949
where: short stacking energy: -44.735
Base-Backbone interact. energy: -0.161
local terms energy: -74.624292
where:
bonds (distance) C4'-P energy: -14.299
bonds (distance) P-C4' energy: -16.080
flat angles C4'-P-C4' energy: -19.301
flat angles P-C4'-P energy: -11.964
tors. eta vs tors. theta energy: -12.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -91.440280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.440280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.440280 (E_RNA)
where:
Base-Base interactions energy: -33.527
where: short stacking energy: -25.269
Base-Backbone interact. energy: -0.220
local terms energy: -57.693656
where:
bonds (distance) C4'-P energy: -22.725
bonds (distance) P-C4' energy: -15.316
flat angles C4'-P-C4' energy: -16.164
flat angles P-C4'-P energy: -7.378
tors. eta vs tors. theta energy: 3.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -329.159576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.159576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.159576 (E_RNA)
where:
Base-Base interactions energy: -230.842
where: short stacking energy: -97.734
Base-Backbone interact. energy: -0.549
local terms energy: -97.768719
where:
bonds (distance) C4'-P energy: -16.350
bonds (distance) P-C4' energy: -20.545
flat angles C4'-P-C4' energy: -16.350
flat angles P-C4'-P energy: -16.152
tors. eta vs tors. theta energy: -28.372
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: 7
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -328.177379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.177379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.177379 (E_RNA)
where:
Base-Base interactions energy: -226.990
where: short stacking energy: -97.351
Base-Backbone interact. energy: -0.271
local terms energy: -100.916033
where:
bonds (distance) C4'-P energy: -16.125
bonds (distance) P-C4' energy: -21.061
flat angles C4'-P-C4' energy: -21.659
flat angles P-C4'-P energy: -12.909
tors. eta vs tors. theta energy: -29.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -290.724956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.724956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.724956 (E_RNA)
where:
Base-Base interactions energy: -196.285
where: short stacking energy: -77.768
Base-Backbone interact. energy: -0.630
local terms energy: -93.809918
where:
bonds (distance) C4'-P energy: -19.983
bonds (distance) P-C4' energy: -20.164
flat angles C4'-P-C4' energy: -19.412
flat angles P-C4'-P energy: -13.919
tors. eta vs tors. theta energy: -20.332
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: 3
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -285.213021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.213021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.213021 (E_RNA)
where:
Base-Base interactions energy: -206.395
where: short stacking energy: -78.920
Base-Backbone interact. energy: -0.176
local terms energy: -78.642714
where:
bonds (distance) C4'-P energy: -16.717
bonds (distance) P-C4' energy: -14.646
flat angles C4'-P-C4' energy: -17.290
flat angles P-C4'-P energy: -8.943
tors. eta vs tors. theta energy: -21.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -269.966807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.966807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.966807 (E_RNA)
where:
Base-Base interactions energy: -179.361
where: short stacking energy: -73.985
Base-Backbone interact. energy: -0.120
local terms energy: -90.485850
where:
bonds (distance) C4'-P energy: -18.469
bonds (distance) P-C4' energy: -21.352
flat angles C4'-P-C4' energy: -16.673
flat angles P-C4'-P energy: -15.560
tors. eta vs tors. theta energy: -18.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -242.184270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.184270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.184270 (E_RNA)
where:
Base-Base interactions energy: -164.183
where: short stacking energy: -78.536
Base-Backbone interact. energy: 0.958
local terms energy: -78.959087
where:
bonds (distance) C4'-P energy: -12.334
bonds (distance) P-C4' energy: -15.184
flat angles C4'-P-C4' energy: -18.645
flat angles P-C4'-P energy: -9.902
tors. eta vs tors. theta energy: -22.893
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: 4
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -213.667785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.667785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.667785 (E_RNA)
where:
Base-Base interactions energy: -130.073
where: short stacking energy: -55.316
Base-Backbone interact. energy: 0.500
local terms energy: -84.094815
where:
bonds (distance) C4'-P energy: -21.722
bonds (distance) P-C4' energy: -20.926
flat angles C4'-P-C4' energy: -15.413
flat angles P-C4'-P energy: -9.781
tors. eta vs tors. theta energy: -16.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -116.584352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.584352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.584352 (E_RNA)
where:
Base-Base interactions energy: -57.079
where: short stacking energy: -44.143
Base-Backbone interact. energy: -0.177
local terms energy: -59.328251
where:
bonds (distance) C4'-P energy: -8.127
bonds (distance) P-C4' energy: -15.595
flat angles C4'-P-C4' energy: -11.878
flat angles P-C4'-P energy: -14.966
tors. eta vs tors. theta energy: -8.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -172.925517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.925517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.925517 (E_RNA)
where:
Base-Base interactions energy: -105.485
where: short stacking energy: -56.593
Base-Backbone interact. energy: 0.740
local terms energy: -68.180038
where:
bonds (distance) C4'-P energy: -17.925
bonds (distance) P-C4' energy: -19.492
flat angles C4'-P-C4' energy: -13.999
flat angles P-C4'-P energy: -11.298
tors. eta vs tors. theta energy: -5.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -96.354395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.354395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.354395 (E_RNA)
where:
Base-Base interactions energy: -44.767
where: short stacking energy: -41.125
Base-Backbone interact. energy: 0.944
local terms energy: -52.531306
where:
bonds (distance) C4'-P energy: -19.343
bonds (distance) P-C4' energy: -20.200
flat angles C4'-P-C4' energy: -6.699
flat angles P-C4'-P energy: -1.912
tors. eta vs tors. theta energy: -4.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -330.218685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.218685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.218685 (E_RNA)
where:
Base-Base interactions energy: -232.067
where: short stacking energy: -95.731
Base-Backbone interact. energy: -0.089
local terms energy: -98.062499
where:
bonds (distance) C4'-P energy: -16.470
bonds (distance) P-C4' energy: -21.553
flat angles C4'-P-C4' energy: -20.738
flat angles P-C4'-P energy: -13.340
tors. eta vs tors. theta energy: -25.961
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: 2
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -322.293819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.293819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.293819 (E_RNA)
where:
Base-Base interactions energy: -221.637
where: short stacking energy: -93.688
Base-Backbone interact. energy: -0.246
local terms energy: -100.410549
where:
bonds (distance) C4'-P energy: -17.802
bonds (distance) P-C4' energy: -15.962
flat angles C4'-P-C4' energy: -22.355
flat angles P-C4'-P energy: -16.184
tors. eta vs tors. theta energy: -28.107
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: 8
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -300.294607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.294607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.294607 (E_RNA)
where:
Base-Base interactions energy: -214.108
where: short stacking energy: -82.417
Base-Backbone interact. energy: -0.297
local terms energy: -85.889545
where:
bonds (distance) C4'-P energy: -17.435
bonds (distance) P-C4' energy: -12.329
flat angles C4'-P-C4' energy: -21.926
flat angles P-C4'-P energy: -12.351
tors. eta vs tors. theta energy: -21.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -286.347940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.347940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.347940 (E_RNA)
where:
Base-Base interactions energy: -198.011
where: short stacking energy: -74.072
Base-Backbone interact. energy: 1.338
local terms energy: -89.674563
where:
bonds (distance) C4'-P energy: -21.842
bonds (distance) P-C4' energy: -20.561
flat angles C4'-P-C4' energy: -18.522
flat angles P-C4'-P energy: -9.082
tors. eta vs tors. theta energy: -19.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -276.923184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.923184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.923184 (E_RNA)
where:
Base-Base interactions energy: -194.828
where: short stacking energy: -73.650
Base-Backbone interact. energy: -0.016
local terms energy: -82.078433
where:
bonds (distance) C4'-P energy: -15.499
bonds (distance) P-C4' energy: -21.414
flat angles C4'-P-C4' energy: -18.910
flat angles P-C4'-P energy: -9.050
tors. eta vs tors. theta energy: -17.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -229.421069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.421069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.421069 (E_RNA)
where:
Base-Base interactions energy: -144.953
where: short stacking energy: -77.817
Base-Backbone interact. energy: -0.135
local terms energy: -84.333558
where:
bonds (distance) C4'-P energy: -19.878
bonds (distance) P-C4' energy: -16.219
flat angles C4'-P-C4' energy: -18.965
flat angles P-C4'-P energy: -14.079
tors. eta vs tors. theta energy: -15.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -216.732012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.732012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.732012 (E_RNA)
where:
Base-Base interactions energy: -125.494
where: short stacking energy: -58.737
Base-Backbone interact. energy: -0.035
local terms energy: -91.202675
where:
bonds (distance) C4'-P energy: -20.290
bonds (distance) P-C4' energy: -20.445
flat angles C4'-P-C4' energy: -20.846
flat angles P-C4'-P energy: -12.226
tors. eta vs tors. theta energy: -17.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -110.552418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.552418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.552418 (E_RNA)
where:
Base-Base interactions energy: -39.693
where: short stacking energy: -37.478
Base-Backbone interact. energy: -0.279
local terms energy: -70.580263
where:
bonds (distance) C4'-P energy: -17.156
bonds (distance) P-C4' energy: -22.059
flat angles C4'-P-C4' energy: -16.169
flat angles P-C4'-P energy: -7.282
tors. eta vs tors. theta energy: -7.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -169.025327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.025327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.025327 (E_RNA)
where:
Base-Base interactions energy: -105.341
where: short stacking energy: -37.295
Base-Backbone interact. energy: -0.732
local terms energy: -62.952316
where:
bonds (distance) C4'-P energy: -23.441
bonds (distance) P-C4' energy: -20.735
flat angles C4'-P-C4' energy: -8.807
flat angles P-C4'-P energy: -6.812
tors. eta vs tors. theta energy: -3.157
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: 9
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -93.836804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.836804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.836804 (E_RNA)
where:
Base-Base interactions energy: -29.116
where: short stacking energy: -26.782
Base-Backbone interact. energy: -0.490
local terms energy: -64.230711
where:
bonds (distance) C4'-P energy: -20.418
bonds (distance) P-C4' energy: -16.202
flat angles C4'-P-C4' energy: -19.617
flat angles P-C4'-P energy: -10.732
tors. eta vs tors. theta energy: 2.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -333.553306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.553306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.553306 (E_RNA)
where:
Base-Base interactions energy: -230.741
where: short stacking energy: -96.739
Base-Backbone interact. energy: -0.177
local terms energy: -102.635360
where:
bonds (distance) C4'-P energy: -18.585
bonds (distance) P-C4' energy: -23.396
flat angles C4'-P-C4' energy: -19.038
flat angles P-C4'-P energy: -13.217
tors. eta vs tors. theta energy: -28.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -331.143934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.143934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.143934 (E_RNA)
where:
Base-Base interactions energy: -218.983
where: short stacking energy: -96.737
Base-Backbone interact. energy: -0.087
local terms energy: -112.073613
where:
bonds (distance) C4'-P energy: -21.449
bonds (distance) P-C4' energy: -23.175
flat angles C4'-P-C4' energy: -20.290
flat angles P-C4'-P energy: -17.160
tors. eta vs tors. theta energy: -29.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -303.692735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.692735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.692735 (E_RNA)
where:
Base-Base interactions energy: -214.072
where: short stacking energy: -83.836
Base-Backbone interact. energy: -0.467
local terms energy: -89.153375
where:
bonds (distance) C4'-P energy: -17.442
bonds (distance) P-C4' energy: -17.486
flat angles C4'-P-C4' energy: -20.999
flat angles P-C4'-P energy: -11.350
tors. eta vs tors. theta energy: -21.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -275.120859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.120859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.120859 (E_RNA)
where:
Base-Base interactions energy: -189.901
where: short stacking energy: -73.609
Base-Backbone interact. energy: -0.185
local terms energy: -85.034738
where:
bonds (distance) C4'-P energy: -19.333
bonds (distance) P-C4' energy: -20.636
flat angles C4'-P-C4' energy: -19.849
flat angles P-C4'-P energy: -4.998
tors. eta vs tors. theta energy: -20.218
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: 3
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -271.252507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.252507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.252507 (E_RNA)
where:
Base-Base interactions energy: -183.452
where: short stacking energy: -78.709
Base-Backbone interact. energy: -0.601
local terms energy: -87.199982
where:
bonds (distance) C4'-P energy: -19.163
bonds (distance) P-C4' energy: -14.112
flat angles C4'-P-C4' energy: -16.213
flat angles P-C4'-P energy: -14.805
tors. eta vs tors. theta energy: -22.908
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: 4
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -229.850663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.850663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.850663 (E_RNA)
where:
Base-Base interactions energy: -146.393
where: short stacking energy: -67.722
Base-Backbone interact. energy: -0.497
local terms energy: -82.960793
where:
bonds (distance) C4'-P energy: -15.963
bonds (distance) P-C4' energy: -20.511
flat angles C4'-P-C4' energy: -19.351
flat angles P-C4'-P energy: -15.173
tors. eta vs tors. theta energy: -11.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -216.210643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.210643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.210643 (E_RNA)
where:
Base-Base interactions energy: -123.141
where: short stacking energy: -60.575
Base-Backbone interact. energy: -0.152
local terms energy: -92.917299
where:
bonds (distance) C4'-P energy: -20.278
bonds (distance) P-C4' energy: -22.571
flat angles C4'-P-C4' energy: -18.570
flat angles P-C4'-P energy: -14.495
tors. eta vs tors. theta energy: -17.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -172.529551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.529551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.529551 (E_RNA)
where:
Base-Base interactions energy: -104.769
where: short stacking energy: -48.176
Base-Backbone interact. energy: -0.426
local terms energy: -67.335017
where:
bonds (distance) C4'-P energy: -17.689
bonds (distance) P-C4' energy: -20.845
flat angles C4'-P-C4' energy: -16.202
flat angles P-C4'-P energy: -6.275
tors. eta vs tors. theta energy: -6.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -104.904006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.904006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.904006 (E_RNA)
where:
Base-Base interactions energy: -34.781
where: short stacking energy: -34.781
Base-Backbone interact. energy: -0.016
local terms energy: -70.107522
where:
bonds (distance) C4'-P energy: -12.741
bonds (distance) P-C4' energy: -21.821
flat angles C4'-P-C4' energy: -17.587
flat angles P-C4'-P energy: -11.194
tors. eta vs tors. theta energy: -6.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -96.650168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.650168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.650168 (E_RNA)
where:
Base-Base interactions energy: -54.936
where: short stacking energy: -48.192
Base-Backbone interact. energy: -0.240
local terms energy: -41.473939
where:
bonds (distance) C4'-P energy: -5.020
bonds (distance) P-C4' energy: -13.557
flat angles C4'-P-C4' energy: -12.432
flat angles P-C4'-P energy: -5.188
tors. eta vs tors. theta energy: -5.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -330.040614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.040614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.040614 (E_RNA)
where:
Base-Base interactions energy: -225.320
where: short stacking energy: -102.737
Base-Backbone interact. energy: -0.285
local terms energy: -104.434702
where:
bonds (distance) C4'-P energy: -20.547
bonds (distance) P-C4' energy: -19.911
flat angles C4'-P-C4' energy: -23.514
flat angles P-C4'-P energy: -15.103
tors. eta vs tors. theta energy: -25.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -333.136690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.136690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.136690 (E_RNA)
where:
Base-Base interactions energy: -225.794
where: short stacking energy: -99.602
Base-Backbone interact. energy: -0.021
local terms energy: -107.321307
where:
bonds (distance) C4'-P energy: -22.679
bonds (distance) P-C4' energy: -20.045
flat angles C4'-P-C4' energy: -23.423
flat angles P-C4'-P energy: -15.591
tors. eta vs tors. theta energy: -25.584
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: 8
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -293.753979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.753979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.753979 (E_RNA)
where:
Base-Base interactions energy: -206.941
where: short stacking energy: -82.472
Base-Backbone interact. energy: -0.531
local terms energy: -86.281993
where:
bonds (distance) C4'-P energy: -15.351
bonds (distance) P-C4' energy: -18.963
flat angles C4'-P-C4' energy: -19.425
flat angles P-C4'-P energy: -12.470
tors. eta vs tors. theta energy: -20.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -296.678844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.678844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.678844 (E_RNA)
where:
Base-Base interactions energy: -213.065
where: short stacking energy: -85.414
Base-Backbone interact. energy: -0.495
local terms energy: -83.119561
where:
bonds (distance) C4'-P energy: -16.353
bonds (distance) P-C4' energy: -19.892
flat angles C4'-P-C4' energy: -18.338
flat angles P-C4'-P energy: -10.279
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: 5, replica: 3
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -276.141751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.141751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.141751 (E_RNA)
where:
Base-Base interactions energy: -198.978
where: short stacking energy: -69.472
Base-Backbone interact. energy: -0.626
local terms energy: -76.538330
where:
bonds (distance) C4'-P energy: -18.634
bonds (distance) P-C4' energy: -17.859
flat angles C4'-P-C4' energy: -18.744
flat angles P-C4'-P energy: -8.116
tors. eta vs tors. theta energy: -13.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -251.358752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.358752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.358752 (E_RNA)
where:
Base-Base interactions energy: -158.488
where: short stacking energy: -72.841
Base-Backbone interact. energy: 1.342
local terms energy: -94.213177
where:
bonds (distance) C4'-P energy: -20.560
bonds (distance) P-C4' energy: -18.166
flat angles C4'-P-C4' energy: -22.136
flat angles P-C4'-P energy: -12.251
tors. eta vs tors. theta energy: -21.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -202.305850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.305850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.305850 (E_RNA)
where:
Base-Base interactions energy: -117.358
where: short stacking energy: -59.232
Base-Backbone interact. energy: -0.005
local terms energy: -84.942841
where:
bonds (distance) C4'-P energy: -15.616
bonds (distance) P-C4' energy: -22.112
flat angles C4'-P-C4' energy: -18.340
flat angles P-C4'-P energy: -12.627
tors. eta vs tors. theta energy: -16.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -184.577938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.577938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.577938 (E_RNA)
where:
Base-Base interactions energy: -110.474
where: short stacking energy: -48.126
Base-Backbone interact. energy: -0.925
local terms energy: -73.179094
where:
bonds (distance) C4'-P energy: -20.150
bonds (distance) P-C4' energy: -18.258
flat angles C4'-P-C4' energy: -20.184
flat angles P-C4'-P energy: -4.062
tors. eta vs tors. theta energy: -10.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -115.681523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.681523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.681523 (E_RNA)
where:
Base-Base interactions energy: -43.742
where: short stacking energy: -43.742
Base-Backbone interact. energy: -0.293
local terms energy: -71.647512
where:
bonds (distance) C4'-P energy: -15.143
bonds (distance) P-C4' energy: -19.921
flat angles C4'-P-C4' energy: -19.938
flat angles P-C4'-P energy: -11.106
tors. eta vs tors. theta energy: -5.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -108.571699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.571699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.571699 (E_RNA)
where:
Base-Base interactions energy: -37.557
where: short stacking energy: -35.690
Base-Backbone interact. energy: -0.395
local terms energy: -70.620200
where:
bonds (distance) C4'-P energy: -14.516
bonds (distance) P-C4' energy: -19.027
flat angles C4'-P-C4' energy: -17.546
flat angles P-C4'-P energy: -10.640
tors. eta vs tors. theta energy: -8.891
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: 2
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -335.934085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.934085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.934085 (E_RNA)
where:
Base-Base interactions energy: -226.497
where: short stacking energy: -101.575
Base-Backbone interact. energy: -0.373
local terms energy: -109.064095
where:
bonds (distance) C4'-P energy: -17.582
bonds (distance) P-C4' energy: -22.349
flat angles C4'-P-C4' energy: -23.141
flat angles P-C4'-P energy: -17.712
tors. eta vs tors. theta energy: -28.280
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: 7
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -325.857499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.857499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.857499 (E_RNA)
where:
Base-Base interactions energy: -226.227
where: short stacking energy: -98.570
Base-Backbone interact. energy: -0.103
local terms energy: -99.527489
where:
bonds (distance) C4'-P energy: -19.971
bonds (distance) P-C4' energy: -19.922
flat angles C4'-P-C4' energy: -21.200
flat angles P-C4'-P energy: -13.110
tors. eta vs tors. theta energy: -25.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -292.737577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.737577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.737577 (E_RNA)
where:
Base-Base interactions energy: -197.720
where: short stacking energy: -78.288
Base-Backbone interact. energy: -1.207
local terms energy: -93.811336
where:
bonds (distance) C4'-P energy: -21.080
bonds (distance) P-C4' energy: -24.153
flat angles C4'-P-C4' energy: -16.810
flat angles P-C4'-P energy: -8.677
tors. eta vs tors. theta energy: -23.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -290.789202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.789202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.789202 (E_RNA)
where:
Base-Base interactions energy: -199.751
where: short stacking energy: -71.537
Base-Backbone interact. energy: -1.468
local terms energy: -89.570005
where:
bonds (distance) C4'-P energy: -17.549
bonds (distance) P-C4' energy: -19.679
flat angles C4'-P-C4' energy: -19.260
flat angles P-C4'-P energy: -9.303
tors. eta vs tors. theta energy: -23.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -289.859379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.859379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.859379 (E_RNA)
where:
Base-Base interactions energy: -195.835
where: short stacking energy: -78.089
Base-Backbone interact. energy: 0.327
local terms energy: -94.351096
where:
bonds (distance) C4'-P energy: -21.611
bonds (distance) P-C4' energy: -22.827
flat angles C4'-P-C4' energy: -19.775
flat angles P-C4'-P energy: -9.652
tors. eta vs tors. theta energy: -20.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -243.900845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.900845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.900845 (E_RNA)
where:
Base-Base interactions energy: -155.809
where: short stacking energy: -78.394
Base-Backbone interact. energy: 0.538
local terms energy: -88.630640
where:
bonds (distance) C4'-P energy: -18.605
bonds (distance) P-C4' energy: -17.645
flat angles C4'-P-C4' energy: -19.766
flat angles P-C4'-P energy: -10.350
tors. eta vs tors. theta energy: -22.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -187.040387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.040387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.040387 (E_RNA)
where:
Base-Base interactions energy: -112.885
where: short stacking energy: -61.419
Base-Backbone interact. energy: -0.062
local terms energy: -74.094208
where:
bonds (distance) C4'-P energy: -20.260
bonds (distance) P-C4' energy: -18.072
flat angles C4'-P-C4' energy: -12.828
flat angles P-C4'-P energy: -12.363
tors. eta vs tors. theta energy: -10.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -198.931321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.931321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.931321 (E_RNA)
where:
Base-Base interactions energy: -111.715
where: short stacking energy: -61.814
Base-Backbone interact. energy: -0.005
local terms energy: -87.211715
where:
bonds (distance) C4'-P energy: -18.430
bonds (distance) P-C4' energy: -19.975
flat angles C4'-P-C4' energy: -18.638
flat angles P-C4'-P energy: -14.789
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: 9, replica: 1
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -106.548555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.548555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.548555 (E_RNA)
where:
Base-Base interactions energy: -46.377
where: short stacking energy: -35.697
Base-Backbone interact. energy: 1.159
local terms energy: -61.331054
where:
bonds (distance) C4'-P energy: -18.409
bonds (distance) P-C4' energy: -20.780
flat angles C4'-P-C4' energy: -11.643
flat angles P-C4'-P energy: -6.489
tors. eta vs tors. theta energy: -4.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -116.224184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.224184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.224184 (E_RNA)
where:
Base-Base interactions energy: -41.965
where: short stacking energy: -29.872
Base-Backbone interact. energy: -0.077
local terms energy: -74.182261
where:
bonds (distance) C4'-P energy: -20.769
bonds (distance) P-C4' energy: -21.316
flat angles C4'-P-C4' energy: -17.896
flat angles P-C4'-P energy: -10.543
tors. eta vs tors. theta energy: -3.658
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: 7
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -335.006713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.006713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.006713 (E_RNA)
where:
Base-Base interactions energy: -233.422
where: short stacking energy: -96.084
Base-Backbone interact. energy: -0.592
local terms energy: -100.992553
where:
bonds (distance) C4'-P energy: -19.862
bonds (distance) P-C4' energy: -19.216
flat angles C4'-P-C4' energy: -18.926
flat angles P-C4'-P energy: -15.275
tors. eta vs tors. theta energy: -27.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -327.545086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.545086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.545086 (E_RNA)
where:
Base-Base interactions energy: -225.827
where: short stacking energy: -97.191
Base-Backbone interact. energy: -0.703
local terms energy: -101.015396
where:
bonds (distance) C4'-P energy: -19.130
bonds (distance) P-C4' energy: -17.098
flat angles C4'-P-C4' energy: -24.168
flat angles P-C4'-P energy: -14.849
tors. eta vs tors. theta energy: -25.771
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: 98
Temperature: 1.000000
Total energy: -283.962889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.962889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.962889 (E_RNA)
where:
Base-Base interactions energy: -207.355
where: short stacking energy: -77.081
Base-Backbone interact. energy: 1.003
local terms energy: -77.611516
where:
bonds (distance) C4'-P energy: -10.130
bonds (distance) P-C4' energy: -21.301
flat angles C4'-P-C4' energy: -19.753
flat angles P-C4'-P energy: -10.001
tors. eta vs tors. theta energy: -16.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -284.653861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.653861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.653861 (E_RNA)
where:
Base-Base interactions energy: -182.997
where: short stacking energy: -82.547
Base-Backbone interact. energy: -1.124
local terms energy: -100.532945
where:
bonds (distance) C4'-P energy: -19.371
bonds (distance) P-C4' energy: -19.599
flat angles C4'-P-C4' energy: -21.505
flat angles P-C4'-P energy: -12.226
tors. eta vs tors. theta energy: -27.834
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: 5
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -269.321190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.321190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.321190 (E_RNA)
where:
Base-Base interactions energy: -191.728
where: short stacking energy: -80.521
Base-Backbone interact. energy: -0.088
local terms energy: -77.504794
where:
bonds (distance) C4'-P energy: -19.331
bonds (distance) P-C4' energy: -15.010
flat angles C4'-P-C4' energy: -15.133
flat angles P-C4'-P energy: -12.992
tors. eta vs tors. theta energy: -15.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -245.466012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.466012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.466012 (E_RNA)
where:
Base-Base interactions energy: -156.719
where: short stacking energy: -66.739
Base-Backbone interact. energy: 0.220
local terms energy: -88.966365
where:
bonds (distance) C4'-P energy: -17.539
bonds (distance) P-C4' energy: -18.021
flat angles C4'-P-C4' energy: -20.411
flat angles P-C4'-P energy: -15.866
tors. eta vs tors. theta energy: -17.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -196.894415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.894415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.894415 (E_RNA)
where:
Base-Base interactions energy: -131.247
where: short stacking energy: -55.551
Base-Backbone interact. energy: -1.077
local terms energy: -64.570851
where:
bonds (distance) C4'-P energy: -15.214
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -13.141
flat angles P-C4'-P energy: -11.137
tors. eta vs tors. theta energy: -8.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -176.971145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.971145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.971145 (E_RNA)
where:
Base-Base interactions energy: -106.535
where: short stacking energy: -47.768
Base-Backbone interact. energy: 0.696
local terms energy: -71.132128
where:
bonds (distance) C4'-P energy: -13.813
bonds (distance) P-C4' energy: -16.698
flat angles C4'-P-C4' energy: -20.178
flat angles P-C4'-P energy: -12.545
tors. eta vs tors. theta energy: -7.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -117.697987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.697987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.697987 (E_RNA)
where:
Base-Base interactions energy: -63.008
where: short stacking energy: -36.862
Base-Backbone interact. energy: -0.743
local terms energy: -53.946896
where:
bonds (distance) C4'-P energy: -13.771
bonds (distance) P-C4' energy: -22.845
flat angles C4'-P-C4' energy: -18.135
flat angles P-C4'-P energy: -6.840
tors. eta vs tors. theta energy: 7.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -94.463455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.463455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.463455 (E_RNA)
where:
Base-Base interactions energy: -29.002
where: short stacking energy: -29.002
Base-Backbone interact. energy: 0.816
local terms energy: -66.276807
where:
bonds (distance) C4'-P energy: -13.097
bonds (distance) P-C4' energy: -22.622
flat angles C4'-P-C4' energy: -18.378
flat angles P-C4'-P energy: -11.971
tors. eta vs tors. theta energy: -0.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -335.002245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.002245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.002245 (E_RNA)
where:
Base-Base interactions energy: -231.871
where: short stacking energy: -97.835
Base-Backbone interact. energy: -0.527
local terms energy: -102.604617
where:
bonds (distance) C4'-P energy: -18.237
bonds (distance) P-C4' energy: -21.424
flat angles C4'-P-C4' energy: -22.651
flat angles P-C4'-P energy: -12.183
tors. eta vs tors. theta energy: -28.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -332.575534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.575534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.575534 (E_RNA)
where:
Base-Base interactions energy: -229.309
where: short stacking energy: -98.109
Base-Backbone interact. energy: -0.857
local terms energy: -102.409223
where:
bonds (distance) C4'-P energy: -16.142
bonds (distance) P-C4' energy: -18.239
flat angles C4'-P-C4' energy: -24.649
flat angles P-C4'-P energy: -15.202
tors. eta vs tors. theta energy: -28.176
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: 3
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -287.299481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.299481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.299481 (E_RNA)
where:
Base-Base interactions energy: -199.847
where: short stacking energy: -82.670
Base-Backbone interact. energy: -0.253
local terms energy: -87.200154
where:
bonds (distance) C4'-P energy: -17.980
bonds (distance) P-C4' energy: -23.078
flat angles C4'-P-C4' energy: -20.476
flat angles P-C4'-P energy: -9.823
tors. eta vs tors. theta energy: -15.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -277.185889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.185889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.185889 (E_RNA)
where:
Base-Base interactions energy: -181.185
where: short stacking energy: -79.374
Base-Backbone interact. energy: -0.798
local terms energy: -95.203106
where:
bonds (distance) C4'-P energy: -22.198
bonds (distance) P-C4' energy: -19.958
flat angles C4'-P-C4' energy: -21.038
flat angles P-C4'-P energy: -6.642
tors. eta vs tors. theta energy: -25.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -263.098955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.098955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.098955 (E_RNA)
where:
Base-Base interactions energy: -178.011
where: short stacking energy: -74.012
Base-Backbone interact. energy: -0.113
local terms energy: -84.975389
where:
bonds (distance) C4'-P energy: -22.542
bonds (distance) P-C4' energy: -19.477
flat angles C4'-P-C4' energy: -12.843
flat angles P-C4'-P energy: -11.864
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: 6, replica: 4
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -242.804225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.804225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.804225 (E_RNA)
where:
Base-Base interactions energy: -157.667
where: short stacking energy: -82.687
Base-Backbone interact. energy: -0.052
local terms energy: -85.085098
where:
bonds (distance) C4'-P energy: -15.177
bonds (distance) P-C4' energy: -13.394
flat angles C4'-P-C4' energy: -20.603
flat angles P-C4'-P energy: -12.095
tors. eta vs tors. theta energy: -23.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -194.165834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.165834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.165834 (E_RNA)
where:
Base-Base interactions energy: -102.114
where: short stacking energy: -51.872
Base-Backbone interact. energy: -1.116
local terms energy: -90.935689
where:
bonds (distance) C4'-P energy: -20.360
bonds (distance) P-C4' energy: -22.586
flat angles C4'-P-C4' energy: -22.149
flat angles P-C4'-P energy: -16.131
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: 8, replica: 6
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -164.510233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.510233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.510233 (E_RNA)
where:
Base-Base interactions energy: -92.017
where: short stacking energy: -55.460
Base-Backbone interact. energy: -1.343
local terms energy: -71.149454
where:
bonds (distance) C4'-P energy: -16.129
bonds (distance) P-C4' energy: -18.620
flat angles C4'-P-C4' energy: -16.815
flat angles P-C4'-P energy: -8.761
tors. eta vs tors. theta energy: -10.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -108.817849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.817849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.817849 (E_RNA)
where:
Base-Base interactions energy: -50.606
where: short stacking energy: -31.027
Base-Backbone interact. energy: -0.174
local terms energy: -58.038080
where:
bonds (distance) C4'-P energy: -15.838
bonds (distance) P-C4' energy: -18.765
flat angles C4'-P-C4' energy: -11.492
flat angles P-C4'-P energy: -10.648
tors. eta vs tors. theta energy: -1.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -104.399787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.399787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.399787 (E_RNA)
where:
Base-Base interactions energy: -38.195
where: short stacking energy: -37.411
Base-Backbone interact. energy: -0.074
local terms energy: -66.130428
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -17.186
flat angles C4'-P-C4' energy: -20.771
flat angles P-C4'-P energy: -10.738
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: 1, replica: 7
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -335.199168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.199168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.199168 (E_RNA)
where:
Base-Base interactions energy: -225.793
where: short stacking energy: -93.275
Base-Backbone interact. energy: 0.101
local terms energy: -109.506661
where:
bonds (distance) C4'-P energy: -22.758
bonds (distance) P-C4' energy: -22.338
flat angles C4'-P-C4' energy: -25.283
flat angles P-C4'-P energy: -12.736
tors. eta vs tors. theta energy: -26.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -328.014491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.014491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.014491 (E_RNA)
where:
Base-Base interactions energy: -228.004
where: short stacking energy: -100.674
Base-Backbone interact. energy: -0.111
local terms energy: -99.899270
where:
bonds (distance) C4'-P energy: -17.483
bonds (distance) P-C4' energy: -20.358
flat angles C4'-P-C4' energy: -20.840
flat angles P-C4'-P energy: -13.069
tors. eta vs tors. theta energy: -28.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -286.590967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.590967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.590967 (E_RNA)
where:
Base-Base interactions energy: -207.451
where: short stacking energy: -83.802
Base-Backbone interact. energy: -0.211
local terms energy: -78.929445
where:
bonds (distance) C4'-P energy: -15.483
bonds (distance) P-C4' energy: -17.560
flat angles C4'-P-C4' energy: -18.387
flat angles P-C4'-P energy: -9.612
tors. eta vs tors. theta energy: -17.887
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: 100
Temperature: 1.050000
Total energy: -285.681760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.681760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.681760 (E_RNA)
where:
Base-Base interactions energy: -194.217
where: short stacking energy: -74.737
Base-Backbone interact. energy: 1.498
local terms energy: -92.962777
where:
bonds (distance) C4'-P energy: -16.637
bonds (distance) P-C4' energy: -15.041
flat angles C4'-P-C4' energy: -25.172
flat angles P-C4'-P energy: -14.814
tors. eta vs tors. theta energy: -21.299
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: 4
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -245.320831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.320831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.320831 (E_RNA)
where:
Base-Base interactions energy: -169.668
where: short stacking energy: -74.534
Base-Backbone interact. energy: 0.318
local terms energy: -75.970956
where:
bonds (distance) C4'-P energy: -16.208
bonds (distance) P-C4' energy: -18.166
flat angles C4'-P-C4' energy: -14.267
flat angles P-C4'-P energy: -10.546
tors. eta vs tors. theta energy: -16.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -277.139325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.139325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.139325 (E_RNA)
where:
Base-Base interactions energy: -194.312
where: short stacking energy: -79.282
Base-Backbone interact. energy: -0.814
local terms energy: -82.013488
where:
bonds (distance) C4'-P energy: -15.004
bonds (distance) P-C4' energy: -18.402
flat angles C4'-P-C4' energy: -21.261
flat angles P-C4'-P energy: -7.511
tors. eta vs tors. theta energy: -19.835
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: 7, replica: 6
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -198.196870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.196870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.196870 (E_RNA)
where:
Base-Base interactions energy: -115.850
where: short stacking energy: -51.541
Base-Backbone interact. energy: 2.072
local terms energy: -84.419032
where:
bonds (distance) C4'-P energy: -19.742
bonds (distance) P-C4' energy: -21.476
flat angles C4'-P-C4' energy: -21.933
flat angles P-C4'-P energy: -9.863
tors. eta vs tors. theta energy: -11.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -200.762347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.762347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.762347 (E_RNA)
where:
Base-Base interactions energy: -140.686
where: short stacking energy: -57.908
Base-Backbone interact. energy: -0.523
local terms energy: -59.553241
where:
bonds (distance) C4'-P energy: -12.697
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -16.702
flat angles P-C4'-P energy: -3.312
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: 9, replica: 1
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -109.439705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.439705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.439705 (E_RNA)
where:
Base-Base interactions energy: -35.301
where: short stacking energy: -35.301
Base-Backbone interact. energy: 1.148
local terms energy: -75.286841
where:
bonds (distance) C4'-P energy: -22.865
bonds (distance) P-C4' energy: -20.522
flat angles C4'-P-C4' energy: -15.490
flat angles P-C4'-P energy: -10.968
tors. eta vs tors. theta energy: -5.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -108.813587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.813587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.813587 (E_RNA)
where:
Base-Base interactions energy: -53.885
where: short stacking energy: -35.953
Base-Backbone interact. energy: 0.465
local terms energy: -55.393532
where:
bonds (distance) C4'-P energy: -11.824
bonds (distance) P-C4' energy: -15.132
flat angles C4'-P-C4' energy: -15.634
flat angles P-C4'-P energy: -12.349
tors. eta vs tors. theta energy: -0.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -326.084480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.084480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.084480 (E_RNA)
where:
Base-Base interactions energy: -227.496
where: short stacking energy: -83.159
Base-Backbone interact. energy: -0.615
local terms energy: -97.973809
where:
bonds (distance) C4'-P energy: -21.805
bonds (distance) P-C4' energy: -20.599
flat angles C4'-P-C4' energy: -20.794
flat angles P-C4'-P energy: -9.685
tors. eta vs tors. theta energy: -25.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -329.730590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.730590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.730590 (E_RNA)
where:
Base-Base interactions energy: -224.449
where: short stacking energy: -100.414
Base-Backbone interact. energy: -0.290
local terms energy: -104.992204
where:
bonds (distance) C4'-P energy: -20.680
bonds (distance) P-C4' energy: -21.207
flat angles C4'-P-C4' energy: -18.674
flat angles P-C4'-P energy: -17.537
tors. eta vs tors. theta energy: -26.895
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: 3, replica: 3
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -289.774497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.774497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.774497 (E_RNA)
where:
Base-Base interactions energy: -205.345
where: short stacking energy: -73.776
Base-Backbone interact. energy: -0.236
local terms energy: -84.193523
where:
bonds (distance) C4'-P energy: -19.570
bonds (distance) P-C4' energy: -18.172
flat angles C4'-P-C4' energy: -20.784
flat angles P-C4'-P energy: -10.156
tors. eta vs tors. theta energy: -15.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -286.931245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.931245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.931245 (E_RNA)
where:
Base-Base interactions energy: -192.794
where: short stacking energy: -78.998
Base-Backbone interact. energy: -0.406
local terms energy: -93.730761
where:
bonds (distance) C4'-P energy: -17.264
bonds (distance) P-C4' energy: -20.295
flat angles C4'-P-C4' energy: -21.130
flat angles P-C4'-P energy: -10.943
tors. eta vs tors. theta energy: -24.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -241.067640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.067640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.067640 (E_RNA)
where:
Base-Base interactions energy: -152.214
where: short stacking energy: -71.257
Base-Backbone interact. energy: -0.794
local terms energy: -88.059093
where:
bonds (distance) C4'-P energy: -15.790
bonds (distance) P-C4' energy: -22.434
flat angles C4'-P-C4' energy: -14.285
flat angles P-C4'-P energy: -14.559
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: 6, replica: 5
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -267.015474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.015474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.015474 (E_RNA)
where:
Base-Base interactions energy: -181.661
where: short stacking energy: -72.702
Base-Backbone interact. energy: -0.035
local terms energy: -85.319146
where:
bonds (distance) C4'-P energy: -18.373
bonds (distance) P-C4' energy: -21.088
flat angles C4'-P-C4' energy: -18.037
flat angles P-C4'-P energy: -7.743
tors. eta vs tors. theta energy: -20.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -197.300161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.300161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.300161 (E_RNA)
where:
Base-Base interactions energy: -134.606
where: short stacking energy: -65.444
Base-Backbone interact. energy: -0.681
local terms energy: -62.012917
where:
bonds (distance) C4'-P energy: -14.022
bonds (distance) P-C4' energy: -15.049
flat angles C4'-P-C4' energy: -16.085
flat angles P-C4'-P energy: -4.511
tors. eta vs tors. theta energy: -12.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -200.196610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.196610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.196610 (E_RNA)
where:
Base-Base interactions energy: -127.988
where: short stacking energy: -61.995
Base-Backbone interact. energy: -0.352
local terms energy: -71.856648
where:
bonds (distance) C4'-P energy: -20.115
bonds (distance) P-C4' energy: -11.252
flat angles C4'-P-C4' energy: -19.753
flat angles P-C4'-P energy: -14.353
tors. eta vs tors. theta energy: -6.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -108.578238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.578238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.578238 (E_RNA)
where:
Base-Base interactions energy: -43.997
where: short stacking energy: -41.837
Base-Backbone interact. energy: -0.208
local terms energy: -64.372678
where:
bonds (distance) C4'-P energy: -10.412
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -18.470
flat angles P-C4'-P energy: -11.255
tors. eta vs tors. theta energy: -9.583
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: 9
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -118.915249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.915249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.915249 (E_RNA)
where:
Base-Base interactions energy: -59.399
where: short stacking energy: -37.020
Base-Backbone interact. energy: -1.018
local terms energy: -58.497444
where:
bonds (distance) C4'-P energy: -15.661
bonds (distance) P-C4' energy: -16.434
flat angles C4'-P-C4' energy: -10.458
flat angles P-C4'-P energy: -10.503
tors. eta vs tors. theta energy: -5.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -334.360041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.360041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.360041 (E_RNA)
where:
Base-Base interactions energy: -221.527
where: short stacking energy: -105.642
Base-Backbone interact. energy: -0.405
local terms energy: -112.428240
where:
bonds (distance) C4'-P energy: -20.620
bonds (distance) P-C4' energy: -21.280
flat angles C4'-P-C4' energy: -23.187
flat angles P-C4'-P energy: -19.155
tors. eta vs tors. theta energy: -28.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -325.798678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.798678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.798678 (E_RNA)
where:
Base-Base interactions energy: -223.345
where: short stacking energy: -92.498
Base-Backbone interact. energy: -0.662
local terms energy: -101.791822
where:
bonds (distance) C4'-P energy: -19.582
bonds (distance) P-C4' energy: -22.457
flat angles C4'-P-C4' energy: -19.249
flat angles P-C4'-P energy: -14.648
tors. eta vs tors. theta energy: -25.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -297.987524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.987524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.987524 (E_RNA)
where:
Base-Base interactions energy: -208.967
where: short stacking energy: -85.511
Base-Backbone interact. energy: -0.470
local terms energy: -88.550883
where:
bonds (distance) C4'-P energy: -19.945
bonds (distance) P-C4' energy: -19.651
flat angles C4'-P-C4' energy: -18.327
flat angles P-C4'-P energy: -7.667
tors. eta vs tors. theta energy: -22.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -290.162374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.162374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.162374 (E_RNA)
where:
Base-Base interactions energy: -197.784
where: short stacking energy: -76.729
Base-Backbone interact. energy: -0.125
local terms energy: -92.253312
where:
bonds (distance) C4'-P energy: -18.586
bonds (distance) P-C4' energy: -23.269
flat angles C4'-P-C4' energy: -21.620
flat angles P-C4'-P energy: -13.137
tors. eta vs tors. theta energy: -15.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -280.115662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.115662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.115662 (E_RNA)
where:
Base-Base interactions energy: -184.058
where: short stacking energy: -72.181
Base-Backbone interact. energy: -0.128
local terms energy: -95.929131
where:
bonds (distance) C4'-P energy: -19.110
bonds (distance) P-C4' energy: -23.258
flat angles C4'-P-C4' energy: -22.729
flat angles P-C4'-P energy: -9.020
tors. eta vs tors. theta energy: -21.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -227.518665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.518665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.518665 (E_RNA)
where:
Base-Base interactions energy: -140.748
where: short stacking energy: -52.211
Base-Backbone interact. energy: -0.526
local terms energy: -86.245124
where:
bonds (distance) C4'-P energy: -21.143
bonds (distance) P-C4' energy: -20.052
flat angles C4'-P-C4' energy: -20.242
flat angles P-C4'-P energy: -14.511
tors. eta vs tors. theta energy: -10.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -198.843109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.843109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.843109 (E_RNA)
where:
Base-Base interactions energy: -119.446
where: short stacking energy: -61.075
Base-Backbone interact. energy: 0.684
local terms energy: -80.080238
where:
bonds (distance) C4'-P energy: -14.747
bonds (distance) P-C4' energy: -17.425
flat angles C4'-P-C4' energy: -22.182
flat angles P-C4'-P energy: -12.775
tors. eta vs tors. theta energy: -12.952
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: 6
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -185.167046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.167046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.167046 (E_RNA)
where:
Base-Base interactions energy: -104.407
where: short stacking energy: -44.925
Base-Backbone interact. energy: -0.202
local terms energy: -80.558087
where:
bonds (distance) C4'-P energy: -19.714
bonds (distance) P-C4' energy: -23.895
flat angles C4'-P-C4' energy: -12.451
flat angles P-C4'-P energy: -14.104
tors. eta vs tors. theta energy: -10.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -118.862888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.862888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.862888 (E_RNA)
where:
Base-Base interactions energy: -62.007
where: short stacking energy: -40.080
Base-Backbone interact. energy: 0.297
local terms energy: -57.152571
where:
bonds (distance) C4'-P energy: -13.777
bonds (distance) P-C4' energy: -15.413
flat angles C4'-P-C4' energy: -17.092
flat angles P-C4'-P energy: -9.529
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: 10, replica: 9
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -99.132495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.132495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.132495 (E_RNA)
where:
Base-Base interactions energy: -47.351
where: short stacking energy: -20.905
Base-Backbone interact. energy: -1.130
local terms energy: -50.651897
where:
bonds (distance) C4'-P energy: -14.304
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -18.359
flat angles P-C4'-P energy: -8.647
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: 1, replica: 2
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -330.963066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.963066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.963066 (E_RNA)
where:
Base-Base interactions energy: -219.992
where: short stacking energy: -102.416
Base-Backbone interact. energy: -0.662
local terms energy: -110.309529
where:
bonds (distance) C4'-P energy: -23.859
bonds (distance) P-C4' energy: -19.625
flat angles C4'-P-C4' energy: -23.296
flat angles P-C4'-P energy: -15.193
tors. eta vs tors. theta energy: -28.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -328.656310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.656310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.656310 (E_RNA)
where:
Base-Base interactions energy: -231.057
where: short stacking energy: -95.341
Base-Backbone interact. energy: 1.800
local terms energy: -99.398706
where:
bonds (distance) C4'-P energy: -22.732
bonds (distance) P-C4' energy: -20.301
flat angles C4'-P-C4' energy: -22.064
flat angles P-C4'-P energy: -8.026
tors. eta vs tors. theta energy: -26.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -291.290077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.290077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.290077 (E_RNA)
where:
Base-Base interactions energy: -205.770
where: short stacking energy: -90.658
Base-Backbone interact. energy: -0.300
local terms energy: -85.220331
where:
bonds (distance) C4'-P energy: -15.871
bonds (distance) P-C4' energy: -16.962
flat angles C4'-P-C4' energy: -21.564
flat angles P-C4'-P energy: -10.766
tors. eta vs tors. theta energy: -20.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -291.073335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.073335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.073335 (E_RNA)
where:
Base-Base interactions energy: -211.354
where: short stacking energy: -79.447
Base-Backbone interact. energy: -0.166
local terms energy: -79.553153
where:
bonds (distance) C4'-P energy: -19.900
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -18.116
flat angles P-C4'-P energy: -7.204
tors. eta vs tors. theta energy: -18.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -269.422602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.422602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.422602 (E_RNA)
where:
Base-Base interactions energy: -179.050
where: short stacking energy: -59.664
Base-Backbone interact. energy: -0.265
local terms energy: -90.107525
where:
bonds (distance) C4'-P energy: -18.170
bonds (distance) P-C4' energy: -22.094
flat angles C4'-P-C4' energy: -16.846
flat angles P-C4'-P energy: -12.002
tors. eta vs tors. theta energy: -20.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -272.772786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.772786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.772786 (E_RNA)
where:
Base-Base interactions energy: -178.844
where: short stacking energy: -89.551
Base-Backbone interact. energy: -0.013
local terms energy: -93.916193
where:
bonds (distance) C4'-P energy: -15.520
bonds (distance) P-C4' energy: -18.820
flat angles C4'-P-C4' energy: -19.692
flat angles P-C4'-P energy: -12.012
tors. eta vs tors. theta energy: -27.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -216.047121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.047121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.047121 (E_RNA)
where:
Base-Base interactions energy: -135.650
where: short stacking energy: -71.037
Base-Backbone interact. energy: 1.080
local terms energy: -81.476535
where:
bonds (distance) C4'-P energy: -22.753
bonds (distance) P-C4' energy: -18.908
flat angles C4'-P-C4' energy: -15.960
flat angles P-C4'-P energy: -10.405
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: 8, replica: 1
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -106.691707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.691707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.691707 (E_RNA)
where:
Base-Base interactions energy: -40.686
where: short stacking energy: -38.306
Base-Backbone interact. energy: -0.075
local terms energy: -65.930974
where:
bonds (distance) C4'-P energy: -13.757
bonds (distance) P-C4' energy: -17.417
flat angles C4'-P-C4' energy: -23.189
flat angles P-C4'-P energy: -5.418
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: 9, replica: 6
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -127.603737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.603737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.603737 (E_RNA)
where:
Base-Base interactions energy: -63.064
where: short stacking energy: -49.191
Base-Backbone interact. energy: 0.018
local terms energy: -64.557358
where:
bonds (distance) C4'-P energy: -12.994
bonds (distance) P-C4' energy: -14.434
flat angles C4'-P-C4' energy: -17.754
flat angles P-C4'-P energy: -10.441
tors. eta vs tors. theta energy: -8.934
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: 9
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -113.372292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.372292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.372292 (E_RNA)
where:
Base-Base interactions energy: -50.103
where: short stacking energy: -50.103
Base-Backbone interact. energy: -0.196
local terms energy: -63.073851
where:
bonds (distance) C4'-P energy: -8.480
bonds (distance) P-C4' energy: -17.217
flat angles C4'-P-C4' energy: -17.993
flat angles P-C4'-P energy: -8.706
tors. eta vs tors. theta energy: -10.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -328.026217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.026217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.026217 (E_RNA)
where:
Base-Base interactions energy: -231.921
where: short stacking energy: -93.570
Base-Backbone interact. energy: -0.037
local terms energy: -96.068322
where:
bonds (distance) C4'-P energy: -22.770
bonds (distance) P-C4' energy: -13.612
flat angles C4'-P-C4' energy: -19.908
flat angles P-C4'-P energy: -17.338
tors. eta vs tors. theta energy: -22.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -319.143979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.143979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.143979 (E_RNA)
where:
Base-Base interactions energy: -211.913
where: short stacking energy: -98.440
Base-Backbone interact. energy: -0.642
local terms energy: -106.589531
where:
bonds (distance) C4'-P energy: -19.769
bonds (distance) P-C4' energy: -24.861
flat angles C4'-P-C4' energy: -19.919
flat angles P-C4'-P energy: -14.739
tors. eta vs tors. theta energy: -27.301
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: 3
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -284.041847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.041847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.041847 (E_RNA)
where:
Base-Base interactions energy: -193.592
where: short stacking energy: -67.897
Base-Backbone interact. energy: -1.605
local terms energy: -88.844499
where:
bonds (distance) C4'-P energy: -19.300
bonds (distance) P-C4' energy: -19.876
flat angles C4'-P-C4' energy: -20.958
flat angles P-C4'-P energy: -11.767
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: 8
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -282.531113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.531113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.531113 (E_RNA)
where:
Base-Base interactions energy: -188.974
where: short stacking energy: -80.198
Base-Backbone interact. energy: -0.047
local terms energy: -93.509738
where:
bonds (distance) C4'-P energy: -16.055
bonds (distance) P-C4' energy: -18.521
flat angles C4'-P-C4' energy: -19.453
flat angles P-C4'-P energy: -14.832
tors. eta vs tors. theta energy: -24.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -260.523654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.523654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.523654 (E_RNA)
where:
Base-Base interactions energy: -175.301
where: short stacking energy: -78.957
Base-Backbone interact. energy: -0.416
local terms energy: -84.806316
where:
bonds (distance) C4'-P energy: -18.183
bonds (distance) P-C4' energy: -16.327
flat angles C4'-P-C4' energy: -20.312
flat angles P-C4'-P energy: -8.670
tors. eta vs tors. theta energy: -21.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -275.073489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.073489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.073489 (E_RNA)
where:
Base-Base interactions energy: -186.604
where: short stacking energy: -79.214
Base-Backbone interact. energy: -0.858
local terms energy: -87.611299
where:
bonds (distance) C4'-P energy: -18.391
bonds (distance) P-C4' energy: -20.991
flat angles C4'-P-C4' energy: -17.367
flat angles P-C4'-P energy: -9.990
tors. eta vs tors. theta energy: -20.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -117.138168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.138168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.138168 (E_RNA)
where:
Base-Base interactions energy: -50.669
where: short stacking energy: -32.978
Base-Backbone interact. energy: -0.010
local terms energy: -66.459186
where:
bonds (distance) C4'-P energy: -19.946
bonds (distance) P-C4' energy: -15.453
flat angles C4'-P-C4' energy: -16.985
flat angles P-C4'-P energy: -14.972
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: 8, replica: 10
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -201.693761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.693761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.693761 (E_RNA)
where:
Base-Base interactions energy: -124.750
where: short stacking energy: -56.751
Base-Backbone interact. energy: -0.242
local terms energy: -76.701613
where:
bonds (distance) C4'-P energy: -16.555
bonds (distance) P-C4' energy: -24.533
flat angles C4'-P-C4' energy: -15.036
flat angles P-C4'-P energy: -11.928
tors. eta vs tors. theta energy: -8.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -143.334574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.334574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.334574 (E_RNA)
where:
Base-Base interactions energy: -80.411
where: short stacking energy: -41.929
Base-Backbone interact. energy: -0.156
local terms energy: -62.767065
where:
bonds (distance) C4'-P energy: -9.127
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -19.008
flat angles P-C4'-P energy: -9.295
tors. eta vs tors. theta energy: -9.601
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: 9
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -109.899295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.899295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.899295 (E_RNA)
where:
Base-Base interactions energy: -44.389
where: short stacking energy: -32.268
Base-Backbone interact. energy: -0.105
local terms energy: -65.405589
where:
bonds (distance) C4'-P energy: -22.079
bonds (distance) P-C4' energy: -13.384
flat angles C4'-P-C4' energy: -12.661
flat angles P-C4'-P energy: -10.599
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: 7
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -328.164379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.164379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.164379 (E_RNA)
where:
Base-Base interactions energy: -227.443
where: short stacking energy: -92.607
Base-Backbone interact. energy: -0.044
local terms energy: -100.677858
where:
bonds (distance) C4'-P energy: -19.359
bonds (distance) P-C4' energy: -19.963
flat angles C4'-P-C4' energy: -22.660
flat angles P-C4'-P energy: -13.120
tors. eta vs tors. theta energy: -25.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -280.991373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.991373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.991373 (E_RNA)
where:
Base-Base interactions energy: -193.798
where: short stacking energy: -80.026
Base-Backbone interact. energy: -0.079
local terms energy: -87.113776
where:
bonds (distance) C4'-P energy: -15.546
bonds (distance) P-C4' energy: -19.645
flat angles C4'-P-C4' energy: -21.018
flat angles P-C4'-P energy: -11.766
tors. eta vs tors. theta energy: -19.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -308.635650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.635650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.635650 (E_RNA)
where:
Base-Base interactions energy: -206.982
where: short stacking energy: -88.985
Base-Backbone interact. energy: -0.829
local terms energy: -100.824236
where:
bonds (distance) C4'-P energy: -19.225
bonds (distance) P-C4' energy: -20.849
flat angles C4'-P-C4' energy: -19.598
flat angles P-C4'-P energy: -13.922
tors. eta vs tors. theta energy: -27.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -270.881020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.881020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.881020 (E_RNA)
where:
Base-Base interactions energy: -187.573
where: short stacking energy: -81.556
Base-Backbone interact. energy: -0.759
local terms energy: -82.548544
where:
bonds (distance) C4'-P energy: -13.165
bonds (distance) P-C4' energy: -20.701
flat angles C4'-P-C4' energy: -18.928
flat angles P-C4'-P energy: -10.976
tors. eta vs tors. theta energy: -18.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -269.142384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.142384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.142384 (E_RNA)
where:
Base-Base interactions energy: -185.191
where: short stacking energy: -70.534
Base-Backbone interact. energy: -0.051
local terms energy: -83.900326
where:
bonds (distance) C4'-P energy: -9.492
bonds (distance) P-C4' energy: -23.004
flat angles C4'-P-C4' energy: -16.926
flat angles P-C4'-P energy: -13.619
tors. eta vs tors. theta energy: -20.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -268.525037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.525037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.525037 (E_RNA)
where:
Base-Base interactions energy: -178.671
where: short stacking energy: -69.938
Base-Backbone interact. energy: -0.003
local terms energy: -89.851653
where:
bonds (distance) C4'-P energy: -18.842
bonds (distance) P-C4' energy: -18.162
flat angles C4'-P-C4' energy: -15.646
flat angles P-C4'-P energy: -12.849
tors. eta vs tors. theta energy: -24.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -136.274425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.274425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.274425 (E_RNA)
where:
Base-Base interactions energy: -80.067
where: short stacking energy: -31.789
Base-Backbone interact. energy: 0.848
local terms energy: -57.054761
where:
bonds (distance) C4'-P energy: -16.551
bonds (distance) P-C4' energy: -11.720
flat angles C4'-P-C4' energy: -16.812
flat angles P-C4'-P energy: -7.709
tors. eta vs tors. theta energy: -4.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -202.133370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.133370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.133370 (E_RNA)
where:
Base-Base interactions energy: -146.520
where: short stacking energy: -50.845
Base-Backbone interact. energy: -1.159
local terms energy: -54.454135
where:
bonds (distance) C4'-P energy: -18.320
bonds (distance) P-C4' energy: -14.255
flat angles C4'-P-C4' energy: -11.378
flat angles P-C4'-P energy: -5.331
tors. eta vs tors. theta energy: -5.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -118.044743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.044743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.044743 (E_RNA)
where:
Base-Base interactions energy: -54.890
where: short stacking energy: -38.263
Base-Backbone interact. energy: -0.168
local terms energy: -62.985934
where:
bonds (distance) C4'-P energy: -15.593
bonds (distance) P-C4' energy: -12.370
flat angles C4'-P-C4' energy: -17.687
flat angles P-C4'-P energy: -15.135
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: 10, replica: 9
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -103.669748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.669748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.669748 (E_RNA)
where:
Base-Base interactions energy: -49.224
where: short stacking energy: -31.690
Base-Backbone interact. energy: -0.295
local terms energy: -54.150283
where:
bonds (distance) C4'-P energy: -13.520
bonds (distance) P-C4' energy: -21.171
flat angles C4'-P-C4' energy: -17.041
flat angles P-C4'-P energy: -6.383
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: 1, replica: 7
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -330.237089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.237089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.237089 (E_RNA)
where:
Base-Base interactions energy: -234.485
where: short stacking energy: -96.144
Base-Backbone interact. energy: -0.339
local terms energy: -95.413827
where:
bonds (distance) C4'-P energy: -16.143
bonds (distance) P-C4' energy: -21.024
flat angles C4'-P-C4' energy: -22.753
flat angles P-C4'-P energy: -7.275
tors. eta vs tors. theta energy: -28.219
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: 3
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -288.764735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.764735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.764735 (E_RNA)
where:
Base-Base interactions energy: -193.258
where: short stacking energy: -83.099
Base-Backbone interact. energy: -0.159
local terms energy: -95.347787
where:
bonds (distance) C4'-P energy: -18.182
bonds (distance) P-C4' energy: -22.540
flat angles C4'-P-C4' energy: -20.067
flat angles P-C4'-P energy: -12.191
tors. eta vs tors. theta energy: -22.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -317.814830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.814830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.814830 (E_RNA)
where:
Base-Base interactions energy: -212.649
where: short stacking energy: -89.731
Base-Backbone interact. energy: -0.106
local terms energy: -105.059605
where:
bonds (distance) C4'-P energy: -23.291
bonds (distance) P-C4' energy: -22.057
flat angles C4'-P-C4' energy: -18.795
flat angles P-C4'-P energy: -16.207
tors. eta vs tors. theta energy: -24.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -270.891901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.891901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.891901 (E_RNA)
where:
Base-Base interactions energy: -184.888
where: short stacking energy: -76.451
Base-Backbone interact. energy: -0.187
local terms energy: -85.816300
where:
bonds (distance) C4'-P energy: -14.563
bonds (distance) P-C4' energy: -19.284
flat angles C4'-P-C4' energy: -22.920
flat angles P-C4'-P energy: -8.290
tors. eta vs tors. theta energy: -20.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -287.097236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.097236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.097236 (E_RNA)
where:
Base-Base interactions energy: -199.147
where: short stacking energy: -73.959
Base-Backbone interact. energy: -0.077
local terms energy: -87.872484
where:
bonds (distance) C4'-P energy: -21.855
bonds (distance) P-C4' energy: -18.692
flat angles C4'-P-C4' energy: -21.519
flat angles P-C4'-P energy: -5.985
tors. eta vs tors. theta energy: -19.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -274.202458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.202458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.202458 (E_RNA)
where:
Base-Base interactions energy: -187.276
where: short stacking energy: -73.275
Base-Backbone interact. energy: -0.124
local terms energy: -86.802084
where:
bonds (distance) C4'-P energy: -17.582
bonds (distance) P-C4' energy: -19.424
flat angles C4'-P-C4' energy: -20.435
flat angles P-C4'-P energy: -6.616
tors. eta vs tors. theta energy: -22.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -215.706718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.706718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.706718 (E_RNA)
where:
Base-Base interactions energy: -142.887
where: short stacking energy: -48.522
Base-Backbone interact. energy: -0.502
local terms energy: -72.317815
where:
bonds (distance) C4'-P energy: -20.533
bonds (distance) P-C4' energy: -18.217
flat angles C4'-P-C4' energy: -16.874
flat angles P-C4'-P energy: -5.293
tors. eta vs tors. theta energy: -11.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -125.647454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.647454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.647454 (E_RNA)
where:
Base-Base interactions energy: -49.559
where: short stacking energy: -49.201
Base-Backbone interact. energy: -0.599
local terms energy: -75.489590
where:
bonds (distance) C4'-P energy: -10.956
bonds (distance) P-C4' energy: -22.205
flat angles C4'-P-C4' energy: -19.666
flat angles P-C4'-P energy: -13.756
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: 9, replica: 9
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -127.370051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.370051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.370051 (E_RNA)
where:
Base-Base interactions energy: -61.481
where: short stacking energy: -47.768
Base-Backbone interact. energy: -0.195
local terms energy: -65.694138
where:
bonds (distance) C4'-P energy: -14.990
bonds (distance) P-C4' energy: -17.434
flat angles C4'-P-C4' energy: -10.898
flat angles P-C4'-P energy: -15.135
tors. eta vs tors. theta energy: -7.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -98.699322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.699322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.699322 (E_RNA)
where:
Base-Base interactions energy: -49.244
where: short stacking energy: -28.794
Base-Backbone interact. energy: -0.660
local terms energy: -48.794391
where:
bonds (distance) C4'-P energy: -12.961
bonds (distance) P-C4' energy: -14.058
flat angles C4'-P-C4' energy: -6.090
flat angles P-C4'-P energy: -13.474
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: 107
Temperature: 0.900000
Total energy: -338.044432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.044432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.044432 (E_RNA)
where:
Base-Base interactions energy: -234.711
where: short stacking energy: -93.746
Base-Backbone interact. energy: -0.490
local terms energy: -102.843241
where:
bonds (distance) C4'-P energy: -22.427
bonds (distance) P-C4' energy: -20.199
flat angles C4'-P-C4' energy: -18.726
flat angles P-C4'-P energy: -15.315
tors. eta vs tors. theta energy: -26.176
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: 2, replica: 2
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -314.854053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.854053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.854053 (E_RNA)
where:
Base-Base interactions energy: -208.876
where: short stacking energy: -86.872
Base-Backbone interact. energy: -0.497
local terms energy: -105.481477
where:
bonds (distance) C4'-P energy: -20.700
bonds (distance) P-C4' energy: -21.892
flat angles C4'-P-C4' energy: -22.797
flat angles P-C4'-P energy: -16.191
tors. eta vs tors. theta energy: -23.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -291.875522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.875522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.875522 (E_RNA)
where:
Base-Base interactions energy: -194.822
where: short stacking energy: -75.921
Base-Backbone interact. energy: -0.481
local terms energy: -96.572367
where:
bonds (distance) C4'-P energy: -20.684
bonds (distance) P-C4' energy: -19.002
flat angles C4'-P-C4' energy: -19.960
flat angles P-C4'-P energy: -14.652
tors. eta vs tors. theta energy: -22.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -286.510650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.510650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.510650 (E_RNA)
where:
Base-Base interactions energy: -190.171
where: short stacking energy: -86.042
Base-Backbone interact. energy: -0.206
local terms energy: -96.134163
where:
bonds (distance) C4'-P energy: -18.282
bonds (distance) P-C4' energy: -20.865
flat angles C4'-P-C4' energy: -19.974
flat angles P-C4'-P energy: -11.270
tors. eta vs tors. theta energy: -25.744
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: 5
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -263.879923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.879923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.879923 (E_RNA)
where:
Base-Base interactions energy: -172.970
where: short stacking energy: -70.719
Base-Backbone interact. energy: -0.092
local terms energy: -90.818262
where:
bonds (distance) C4'-P energy: -15.302
bonds (distance) P-C4' energy: -21.669
flat angles C4'-P-C4' energy: -21.869
flat angles P-C4'-P energy: -12.784
tors. eta vs tors. theta energy: -19.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -282.381680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.381680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.381680 (E_RNA)
where:
Base-Base interactions energy: -186.474
where: short stacking energy: -78.763
Base-Backbone interact. energy: -0.072
local terms energy: -95.835464
where:
bonds (distance) C4'-P energy: -21.195
bonds (distance) P-C4' energy: -24.399
flat angles C4'-P-C4' energy: -18.549
flat angles P-C4'-P energy: -9.974
tors. eta vs tors. theta energy: -21.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -226.330316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.330316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.330316 (E_RNA)
where:
Base-Base interactions energy: -152.955
where: short stacking energy: -61.023
Base-Backbone interact. energy: -0.461
local terms energy: -72.913803
where:
bonds (distance) C4'-P energy: -16.535
bonds (distance) P-C4' energy: -12.775
flat angles C4'-P-C4' energy: -19.949
flat angles P-C4'-P energy: -9.960
tors. eta vs tors. theta energy: -13.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -114.346617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.346617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.346617 (E_RNA)
where:
Base-Base interactions energy: -46.258
where: short stacking energy: -46.242
Base-Backbone interact. energy: 1.750
local terms energy: -69.839019
where:
bonds (distance) C4'-P energy: -14.142
bonds (distance) P-C4' energy: -19.082
flat angles C4'-P-C4' energy: -18.086
flat angles P-C4'-P energy: -14.379
tors. eta vs tors. theta energy: -4.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -151.528269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.528269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.528269 (E_RNA)
where:
Base-Base interactions energy: -91.652
where: short stacking energy: -47.167
Base-Backbone interact. energy: -0.859
local terms energy: -59.017363
where:
bonds (distance) C4'-P energy: -15.157
bonds (distance) P-C4' energy: -17.910
flat angles C4'-P-C4' energy: -14.508
flat angles P-C4'-P energy: -5.409
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: 10, replica: 6
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -94.727350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.727350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.727350 (E_RNA)
where:
Base-Base interactions energy: -29.877
where: short stacking energy: -25.755
Base-Backbone interact. energy: -0.498
local terms energy: -64.353103
where:
bonds (distance) C4'-P energy: -13.599
bonds (distance) P-C4' energy: -22.473
flat angles C4'-P-C4' energy: -17.746
flat angles P-C4'-P energy: -16.031
tors. eta vs tors. theta energy: 5.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -332.947094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.947094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.947094 (E_RNA)
where:
Base-Base interactions energy: -230.284
where: short stacking energy: -94.005
Base-Backbone interact. energy: -0.359
local terms energy: -102.303747
where:
bonds (distance) C4'-P energy: -20.208
bonds (distance) P-C4' energy: -18.899
flat angles C4'-P-C4' energy: -20.535
flat angles P-C4'-P energy: -17.088
tors. eta vs tors. theta energy: -25.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -325.881809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.881809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.881809 (E_RNA)
where:
Base-Base interactions energy: -220.506
where: short stacking energy: -95.057
Base-Backbone interact. energy: -0.898
local terms energy: -104.477958
where:
bonds (distance) C4'-P energy: -17.414
bonds (distance) P-C4' energy: -22.355
flat angles C4'-P-C4' energy: -20.671
flat angles P-C4'-P energy: -12.275
tors. eta vs tors. theta energy: -31.763
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: 3
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -290.399347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.399347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.399347 (E_RNA)
where:
Base-Base interactions energy: -202.008
where: short stacking energy: -88.507
Base-Backbone interact. energy: -1.063
local terms energy: -87.328842
where:
bonds (distance) C4'-P energy: -16.801
bonds (distance) P-C4' energy: -15.986
flat angles C4'-P-C4' energy: -23.576
flat angles P-C4'-P energy: -7.143
tors. eta vs tors. theta energy: -23.823
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: 4
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -270.882719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.882719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.882719 (E_RNA)
where:
Base-Base interactions energy: -175.735
where: short stacking energy: -74.061
Base-Backbone interact. energy: -0.205
local terms energy: -94.942688
where:
bonds (distance) C4'-P energy: -19.379
bonds (distance) P-C4' energy: -21.181
flat angles C4'-P-C4' energy: -22.490
flat angles P-C4'-P energy: -14.322
tors. eta vs tors. theta energy: -17.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -258.185126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.185126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.185126 (E_RNA)
where:
Base-Base interactions energy: -162.899
where: short stacking energy: -71.820
Base-Backbone interact. energy: 1.194
local terms energy: -96.480313
where:
bonds (distance) C4'-P energy: -21.730
bonds (distance) P-C4' energy: -21.274
flat angles C4'-P-C4' energy: -20.237
flat angles P-C4'-P energy: -13.851
tors. eta vs tors. theta energy: -19.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -270.808922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.808922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.808922 (E_RNA)
where:
Base-Base interactions energy: -183.345
where: short stacking energy: -78.527
Base-Backbone interact. energy: -0.472
local terms energy: -86.991924
where:
bonds (distance) C4'-P energy: -20.522
bonds (distance) P-C4' energy: -16.923
flat angles C4'-P-C4' energy: -16.836
flat angles P-C4'-P energy: -12.525
tors. eta vs tors. theta energy: -20.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -258.801092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.801092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.801092 (E_RNA)
where:
Base-Base interactions energy: -177.320
where: short stacking energy: -65.882
Base-Backbone interact. energy: 0.273
local terms energy: -81.754514
where:
bonds (distance) C4'-P energy: -15.342
bonds (distance) P-C4' energy: -20.875
flat angles C4'-P-C4' energy: -15.229
flat angles P-C4'-P energy: -10.834
tors. eta vs tors. theta energy: -19.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -130.208268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.208268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.208268 (E_RNA)
where:
Base-Base interactions energy: -60.787
where: short stacking energy: -47.193
Base-Backbone interact. energy: -1.104
local terms energy: -68.316939
where:
bonds (distance) C4'-P energy: -15.307
bonds (distance) P-C4' energy: -20.504
flat angles C4'-P-C4' energy: -16.949
flat angles P-C4'-P energy: -5.612
tors. eta vs tors. theta energy: -9.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -129.257348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.257348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.257348 (E_RNA)
where:
Base-Base interactions energy: -60.179
where: short stacking energy: -32.006
Base-Backbone interact. energy: 0.950
local terms energy: -70.027643
where:
bonds (distance) C4'-P energy: -15.785
bonds (distance) P-C4' energy: -19.129
flat angles C4'-P-C4' energy: -19.723
flat angles P-C4'-P energy: -13.953
tors. eta vs tors. theta energy: -1.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -103.406692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.406692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.406692 (E_RNA)
where:
Base-Base interactions energy: -50.848
where: short stacking energy: -45.545
Base-Backbone interact. energy: 2.945
local terms energy: -55.503560
where:
bonds (distance) C4'-P energy: -16.036
bonds (distance) P-C4' energy: -19.107
flat angles C4'-P-C4' energy: -5.008
flat angles P-C4'-P energy: -10.314
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: 1, replica: 7
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -334.442150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.442150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.442150 (E_RNA)
where:
Base-Base interactions energy: -235.898
where: short stacking energy: -98.425
Base-Backbone interact. energy: -0.118
local terms energy: -98.426366
where:
bonds (distance) C4'-P energy: -15.069
bonds (distance) P-C4' energy: -18.224
flat angles C4'-P-C4' energy: -23.308
flat angles P-C4'-P energy: -14.273
tors. eta vs tors. theta energy: -27.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -326.281154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.281154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.281154 (E_RNA)
where:
Base-Base interactions energy: -220.092
where: short stacking energy: -90.690
Base-Backbone interact. energy: -0.633
local terms energy: -105.555958
where:
bonds (distance) C4'-P energy: -19.689
bonds (distance) P-C4' energy: -23.459
flat angles C4'-P-C4' energy: -21.452
flat angles P-C4'-P energy: -14.876
tors. eta vs tors. theta energy: -26.080
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: 3
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -272.740838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.740838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.740838 (E_RNA)
where:
Base-Base interactions energy: -189.912
where: short stacking energy: -74.771
Base-Backbone interact. energy: -0.257
local terms energy: -82.571562
where:
bonds (distance) C4'-P energy: -19.913
bonds (distance) P-C4' energy: -12.422
flat angles C4'-P-C4' energy: -23.404
flat angles P-C4'-P energy: -11.582
tors. eta vs tors. theta energy: -15.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -266.021770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.021770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.021770 (E_RNA)
where:
Base-Base interactions energy: -178.411
where: short stacking energy: -78.216
Base-Backbone interact. energy: -0.438
local terms energy: -87.173143
where:
bonds (distance) C4'-P energy: -20.107
bonds (distance) P-C4' energy: -18.779
flat angles C4'-P-C4' energy: -17.675
flat angles P-C4'-P energy: -9.135
tors. eta vs tors. theta energy: -21.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -242.529008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.529008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.529008 (E_RNA)
where:
Base-Base interactions energy: -156.994
where: short stacking energy: -72.303
Base-Backbone interact. energy: 0.244
local terms energy: -85.778091
where:
bonds (distance) C4'-P energy: -15.868
bonds (distance) P-C4' energy: -20.302
flat angles C4'-P-C4' energy: -22.512
flat angles P-C4'-P energy: -9.979
tors. eta vs tors. theta energy: -17.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -268.875109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.875109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.875109 (E_RNA)
where:
Base-Base interactions energy: -181.584
where: short stacking energy: -74.163
Base-Backbone interact. energy: -1.901
local terms energy: -85.390231
where:
bonds (distance) C4'-P energy: -18.212
bonds (distance) P-C4' energy: -15.214
flat angles C4'-P-C4' energy: -21.290
flat angles P-C4'-P energy: -11.714
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: 7, replica: 5
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -284.445358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.445358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.445358 (E_RNA)
where:
Base-Base interactions energy: -193.762
where: short stacking energy: -83.535
Base-Backbone interact. energy: -0.727
local terms energy: -89.956672
where:
bonds (distance) C4'-P energy: -17.251
bonds (distance) P-C4' energy: -22.516
flat angles C4'-P-C4' energy: -15.803
flat angles P-C4'-P energy: -10.947
tors. eta vs tors. theta energy: -23.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -117.087792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.087792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.087792 (E_RNA)
where:
Base-Base interactions energy: -52.427
where: short stacking energy: -43.858
Base-Backbone interact. energy: -0.007
local terms energy: -64.654374
where:
bonds (distance) C4'-P energy: -9.477
bonds (distance) P-C4' energy: -21.364
flat angles C4'-P-C4' energy: -13.545
flat angles P-C4'-P energy: -9.316
tors. eta vs tors. theta energy: -10.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -107.686771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.686771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.686771 (E_RNA)
where:
Base-Base interactions energy: -48.071
where: short stacking energy: -32.936
Base-Backbone interact. energy: -0.710
local terms energy: -58.906051
where:
bonds (distance) C4'-P energy: -15.947
bonds (distance) P-C4' energy: -20.952
flat angles C4'-P-C4' energy: -10.801
flat angles P-C4'-P energy: -10.280
tors. eta vs tors. theta energy: -0.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -108.192466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.192466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.192466 (E_RNA)
where:
Base-Base interactions energy: -43.672
where: short stacking energy: -31.298
Base-Backbone interact. energy: 0.227
local terms energy: -64.747184
where:
bonds (distance) C4'-P energy: -16.043
bonds (distance) P-C4' energy: -15.687
flat angles C4'-P-C4' energy: -19.193
flat angles P-C4'-P energy: -12.690
tors. eta vs tors. theta energy: -1.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -330.663177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.663177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.663177 (E_RNA)
where:
Base-Base interactions energy: -226.933
where: short stacking energy: -107.748
Base-Backbone interact. energy: -0.348
local terms energy: -103.382511
where:
bonds (distance) C4'-P energy: -16.370
bonds (distance) P-C4' energy: -23.505
flat angles C4'-P-C4' energy: -22.092
flat angles P-C4'-P energy: -13.367
tors. eta vs tors. theta energy: -28.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -329.216846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.216846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.216846 (E_RNA)
where:
Base-Base interactions energy: -231.095
where: short stacking energy: -93.726
Base-Backbone interact. energy: -0.156
local terms energy: -97.965205
where:
bonds (distance) C4'-P energy: -20.581
bonds (distance) P-C4' energy: -17.983
flat angles C4'-P-C4' energy: -20.390
flat angles P-C4'-P energy: -15.543
tors. eta vs tors. theta energy: -23.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -289.027273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.027273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.027273 (E_RNA)
where:
Base-Base interactions energy: -198.063
where: short stacking energy: -71.774
Base-Backbone interact. energy: -0.135
local terms energy: -90.828764
where:
bonds (distance) C4'-P energy: -17.037
bonds (distance) P-C4' energy: -23.293
flat angles C4'-P-C4' energy: -20.528
flat angles P-C4'-P energy: -10.049
tors. eta vs tors. theta energy: -19.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -260.831246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.831246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.831246 (E_RNA)
where:
Base-Base interactions energy: -181.380
where: short stacking energy: -83.151
Base-Backbone interact. energy: -1.310
local terms energy: -78.141035
where:
bonds (distance) C4'-P energy: -21.715
bonds (distance) P-C4' energy: -15.981
flat angles C4'-P-C4' energy: -18.855
flat angles P-C4'-P energy: -6.201
tors. eta vs tors. theta energy: -15.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -278.714122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.714122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.714122 (E_RNA)
where:
Base-Base interactions energy: -192.496
where: short stacking energy: -77.657
Base-Backbone interact. energy: -0.155
local terms energy: -86.063790
where:
bonds (distance) C4'-P energy: -18.584
bonds (distance) P-C4' energy: -23.752
flat angles C4'-P-C4' energy: -14.694
flat angles P-C4'-P energy: -13.125
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: 6, replica: 8
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -238.748767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.748767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.748767 (E_RNA)
where:
Base-Base interactions energy: -158.204
where: short stacking energy: -69.883
Base-Backbone interact. energy: -0.094
local terms energy: -80.451218
where:
bonds (distance) C4'-P energy: -20.190
bonds (distance) P-C4' energy: -17.082
flat angles C4'-P-C4' energy: -13.685
flat angles P-C4'-P energy: -11.941
tors. eta vs tors. theta energy: -17.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -249.689580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.689580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.689580 (E_RNA)
where:
Base-Base interactions energy: -153.078
where: short stacking energy: -69.407
Base-Backbone interact. energy: -0.084
local terms energy: -96.526871
where:
bonds (distance) C4'-P energy: -17.952
bonds (distance) P-C4' energy: -21.352
flat angles C4'-P-C4' energy: -20.341
flat angles P-C4'-P energy: -14.230
tors. eta vs tors. theta energy: -22.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -121.013531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.013531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.013531 (E_RNA)
where:
Base-Base interactions energy: -39.526
where: short stacking energy: -39.526
Base-Backbone interact. energy: 0.179
local terms energy: -81.666477
where:
bonds (distance) C4'-P energy: -22.288
bonds (distance) P-C4' energy: -21.334
flat angles C4'-P-C4' energy: -13.597
flat angles P-C4'-P energy: -16.883
tors. eta vs tors. theta energy: -7.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -112.648430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.648430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.648430 (E_RNA)
where:
Base-Base interactions energy: -35.900
where: short stacking energy: -27.241
Base-Backbone interact. energy: -0.374
local terms energy: -76.374551
where:
bonds (distance) C4'-P energy: -19.917
bonds (distance) P-C4' energy: -19.182
flat angles C4'-P-C4' energy: -18.513
flat angles P-C4'-P energy: -14.381
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: 10, replica: 9
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -101.363139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.363139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.363139 (E_RNA)
where:
Base-Base interactions energy: -36.980
where: short stacking energy: -31.516
Base-Backbone interact. energy: -0.441
local terms energy: -63.941831
where:
bonds (distance) C4'-P energy: -16.275
bonds (distance) P-C4' energy: -19.370
flat angles C4'-P-C4' energy: -13.140
flat angles P-C4'-P energy: -8.989
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: 1, replica: 2
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -337.489357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.489357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.489357 (E_RNA)
where:
Base-Base interactions energy: -232.935
where: short stacking energy: -104.957
Base-Backbone interact. energy: -0.143
local terms energy: -104.411520
where:
bonds (distance) C4'-P energy: -19.145
bonds (distance) P-C4' energy: -19.337
flat angles C4'-P-C4' energy: -19.790
flat angles P-C4'-P energy: -16.257
tors. eta vs tors. theta energy: -29.882
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: 7
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -317.797304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.797304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.797304 (E_RNA)
where:
Base-Base interactions energy: -213.541
where: short stacking energy: -72.635
Base-Backbone interact. energy: -0.124
local terms energy: -104.132183
where:
bonds (distance) C4'-P energy: -19.973
bonds (distance) P-C4' energy: -20.781
flat angles C4'-P-C4' energy: -23.151
flat angles P-C4'-P energy: -16.885
tors. eta vs tors. theta energy: -23.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -287.562280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.562280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.562280 (E_RNA)
where:
Base-Base interactions energy: -195.723
where: short stacking energy: -78.704
Base-Backbone interact. energy: -1.558
local terms energy: -90.281390
where:
bonds (distance) C4'-P energy: -12.472
bonds (distance) P-C4' energy: -19.071
flat angles C4'-P-C4' energy: -20.905
flat angles P-C4'-P energy: -15.512
tors. eta vs tors. theta energy: -22.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -279.594883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.594883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.594883 (E_RNA)
where:
Base-Base interactions energy: -190.588
where: short stacking energy: -80.108
Base-Backbone interact. energy: -0.231
local terms energy: -88.775921
where:
bonds (distance) C4'-P energy: -21.056
bonds (distance) P-C4' energy: -19.366
flat angles C4'-P-C4' energy: -16.961
flat angles P-C4'-P energy: -9.695
tors. eta vs tors. theta energy: -21.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -257.297677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.297677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.297677 (E_RNA)
where:
Base-Base interactions energy: -172.423
where: short stacking energy: -72.557
Base-Backbone interact. energy: -0.370
local terms energy: -84.505003
where:
bonds (distance) C4'-P energy: -17.833
bonds (distance) P-C4' energy: -19.538
flat angles C4'-P-C4' energy: -21.860
flat angles P-C4'-P energy: -9.505
tors. eta vs tors. theta energy: -15.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -238.045617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.045617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.045617 (E_RNA)
where:
Base-Base interactions energy: -154.930
where: short stacking energy: -66.799
Base-Backbone interact. energy: -0.326
local terms energy: -82.789309
where:
bonds (distance) C4'-P energy: -18.663
bonds (distance) P-C4' energy: -19.646
flat angles C4'-P-C4' energy: -21.682
flat angles P-C4'-P energy: -9.590
tors. eta vs tors. theta energy: -13.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -225.557828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.557828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.557828 (E_RNA)
where:
Base-Base interactions energy: -147.864
where: short stacking energy: -67.856
Base-Backbone interact. energy: -0.186
local terms energy: -77.507646
where:
bonds (distance) C4'-P energy: -20.050
bonds (distance) P-C4' energy: -18.414
flat angles C4'-P-C4' energy: -18.459
flat angles P-C4'-P energy: -8.395
tors. eta vs tors. theta energy: -12.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -113.692886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.692886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.692886 (E_RNA)
where:
Base-Base interactions energy: -40.877
where: short stacking energy: -38.665
Base-Backbone interact. energy: -0.345
local terms energy: -72.470962
where:
bonds (distance) C4'-P energy: -17.552
bonds (distance) P-C4' energy: -20.215
flat angles C4'-P-C4' energy: -20.092
flat angles P-C4'-P energy: -6.999
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: 9, replica: 6
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -103.426106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.426106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.426106 (E_RNA)
where:
Base-Base interactions energy: -41.715
where: short stacking energy: -36.228
Base-Backbone interact. energy: -0.290
local terms energy: -61.421065
where:
bonds (distance) C4'-P energy: -15.090
bonds (distance) P-C4' energy: -20.267
flat angles C4'-P-C4' energy: -13.796
flat angles P-C4'-P energy: -11.655
tors. eta vs tors. theta energy: -0.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -99.779365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.779365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.779365 (E_RNA)
where:
Base-Base interactions energy: -42.532
where: short stacking energy: -31.685
Base-Backbone interact. energy: -0.447
local terms energy: -56.800346
where:
bonds (distance) C4'-P energy: -21.516
bonds (distance) P-C4' energy: -17.199
flat angles C4'-P-C4' energy: -12.659
flat angles P-C4'-P energy: -6.468
tors. eta vs tors. theta energy: 1.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -326.731667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.731667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.731667 (E_RNA)
where:
Base-Base interactions energy: -228.242
where: short stacking energy: -96.798
Base-Backbone interact. energy: -0.163
local terms energy: -98.326309
where:
bonds (distance) C4'-P energy: -18.131
bonds (distance) P-C4' energy: -21.667
flat angles C4'-P-C4' energy: -21.761
flat angles P-C4'-P energy: -12.582
tors. eta vs tors. theta energy: -24.184
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: 2
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -332.774538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.774538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.774538 (E_RNA)
where:
Base-Base interactions energy: -224.325
where: short stacking energy: -100.050
Base-Backbone interact. energy: -0.167
local terms energy: -108.282360
where:
bonds (distance) C4'-P energy: -21.784
bonds (distance) P-C4' energy: -20.466
flat angles C4'-P-C4' energy: -25.059
flat angles P-C4'-P energy: -14.847
tors. eta vs tors. theta energy: -26.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -294.061907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.061907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.061907 (E_RNA)
where:
Base-Base interactions energy: -199.281
where: short stacking energy: -91.926
Base-Backbone interact. energy: 1.229
local terms energy: -96.009947
where:
bonds (distance) C4'-P energy: -19.831
bonds (distance) P-C4' energy: -22.035
flat angles C4'-P-C4' energy: -18.634
flat angles P-C4'-P energy: -13.306
tors. eta vs tors. theta energy: -22.204
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: 4, replica: 3
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -293.637424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.637424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.637424 (E_RNA)
where:
Base-Base interactions energy: -192.930
where: short stacking energy: -76.200
Base-Backbone interact. energy: -0.821
local terms energy: -99.886196
where:
bonds (distance) C4'-P energy: -23.006
bonds (distance) P-C4' energy: -22.628
flat angles C4'-P-C4' energy: -20.289
flat angles P-C4'-P energy: -14.322
tors. eta vs tors. theta energy: -19.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -253.821688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.821688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.821688 (E_RNA)
where:
Base-Base interactions energy: -164.814
where: short stacking energy: -69.652
Base-Backbone interact. energy: -0.544
local terms energy: -88.464107
where:
bonds (distance) C4'-P energy: -19.443
bonds (distance) P-C4' energy: -19.206
flat angles C4'-P-C4' energy: -21.422
flat angles P-C4'-P energy: -12.186
tors. eta vs tors. theta energy: -16.208
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: 5
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -241.082769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.082769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.082769 (E_RNA)
where:
Base-Base interactions energy: -152.524
where: short stacking energy: -78.195
Base-Backbone interact. energy: -1.020
local terms energy: -87.538142
where:
bonds (distance) C4'-P energy: -19.705
bonds (distance) P-C4' energy: -12.160
flat angles C4'-P-C4' energy: -20.441
flat angles P-C4'-P energy: -17.129
tors. eta vs tors. theta energy: -18.103
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: 8
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -238.892127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.892127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.892127 (E_RNA)
where:
Base-Base interactions energy: -153.548
where: short stacking energy: -73.318
Base-Backbone interact. energy: 0.137
local terms energy: -85.480595
where:
bonds (distance) C4'-P energy: -15.677
bonds (distance) P-C4' energy: -17.203
flat angles C4'-P-C4' energy: -18.463
flat angles P-C4'-P energy: -13.092
tors. eta vs tors. theta energy: -21.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -110.191326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.191326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.191326 (E_RNA)
where:
Base-Base interactions energy: -47.510
where: short stacking energy: -22.683
Base-Backbone interact. energy: 1.422
local terms energy: -64.102673
where:
bonds (distance) C4'-P energy: -14.096
bonds (distance) P-C4' energy: -18.132
flat angles C4'-P-C4' energy: -17.291
flat angles P-C4'-P energy: -9.802
tors. eta vs tors. theta energy: -4.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -114.344070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.344070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.344070 (E_RNA)
where:
Base-Base interactions energy: -50.930
where: short stacking energy: -38.151
Base-Backbone interact. energy: -0.319
local terms energy: -63.095226
where:
bonds (distance) C4'-P energy: -21.979
bonds (distance) P-C4' energy: -14.788
flat angles C4'-P-C4' energy: -18.656
flat angles P-C4'-P energy: -7.956
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: 10, replica: 6
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -93.833735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.833735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.833735 (E_RNA)
where:
Base-Base interactions energy: -41.238
where: short stacking energy: -27.730
Base-Backbone interact. energy: -0.355
local terms energy: -52.240348
where:
bonds (distance) C4'-P energy: -11.311
bonds (distance) P-C4' energy: -19.847
flat angles C4'-P-C4' energy: -16.029
flat angles P-C4'-P energy: -6.694
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: 1, replica: 7
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -331.893001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.893001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.893001 (E_RNA)
where:
Base-Base interactions energy: -227.401
where: short stacking energy: -96.856
Base-Backbone interact. energy: -0.798
local terms energy: -103.693528
where:
bonds (distance) C4'-P energy: -19.967
bonds (distance) P-C4' energy: -19.414
flat angles C4'-P-C4' energy: -22.023
flat angles P-C4'-P energy: -12.808
tors. eta vs tors. theta energy: -29.481
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: 2
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -331.802566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.802566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.802566 (E_RNA)
where:
Base-Base interactions energy: -227.443
where: short stacking energy: -98.364
Base-Backbone interact. energy: 0.226
local terms energy: -104.586248
where:
bonds (distance) C4'-P energy: -18.339
bonds (distance) P-C4' energy: -19.192
flat angles C4'-P-C4' energy: -23.312
flat angles P-C4'-P energy: -17.097
tors. eta vs tors. theta energy: -26.646
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: 3, replica: 10
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -294.318150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.318150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.318150 (E_RNA)
where:
Base-Base interactions energy: -193.498
where: short stacking energy: -81.277
Base-Backbone interact. energy: -0.508
local terms energy: -100.312326
where:
bonds (distance) C4'-P energy: -23.218
bonds (distance) P-C4' energy: -17.160
flat angles C4'-P-C4' energy: -20.430
flat angles P-C4'-P energy: -13.797
tors. eta vs tors. theta energy: -25.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -289.116390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.116390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.116390 (E_RNA)
where:
Base-Base interactions energy: -196.777
where: short stacking energy: -83.406
Base-Backbone interact. energy: -1.265
local terms energy: -91.075368
where:
bonds (distance) C4'-P energy: -20.129
bonds (distance) P-C4' energy: -20.666
flat angles C4'-P-C4' energy: -17.746
flat angles P-C4'-P energy: -12.233
tors. eta vs tors. theta energy: -20.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -235.777211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.777211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.777211 (E_RNA)
where:
Base-Base interactions energy: -151.399
where: short stacking energy: -78.684
Base-Backbone interact. energy: 0.279
local terms energy: -84.657136
where:
bonds (distance) C4'-P energy: -11.476
bonds (distance) P-C4' energy: -22.849
flat angles C4'-P-C4' energy: -18.409
flat angles P-C4'-P energy: -10.463
tors. eta vs tors. theta energy: -21.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -251.257929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.257929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.257929 (E_RNA)
where:
Base-Base interactions energy: -166.265
where: short stacking energy: -69.463
Base-Backbone interact. energy: 0.492
local terms energy: -85.485153
where:
bonds (distance) C4'-P energy: -17.557
bonds (distance) P-C4' energy: -19.382
flat angles C4'-P-C4' energy: -17.872
flat angles P-C4'-P energy: -12.171
tors. eta vs tors. theta energy: -18.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -247.246124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.246124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.246124 (E_RNA)
where:
Base-Base interactions energy: -165.328
where: short stacking energy: -72.998
Base-Backbone interact. energy: -0.343
local terms energy: -81.575688
where:
bonds (distance) C4'-P energy: -18.522
bonds (distance) P-C4' energy: -10.752
flat angles C4'-P-C4' energy: -21.002
flat angles P-C4'-P energy: -14.130
tors. eta vs tors. theta energy: -17.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -125.589830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.589830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.589830 (E_RNA)
where:
Base-Base interactions energy: -69.918
where: short stacking energy: -31.446
Base-Backbone interact. energy: -0.227
local terms energy: -55.445768
where:
bonds (distance) C4'-P energy: -15.739
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -13.962
flat angles P-C4'-P energy: -6.742
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: 1
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -104.526823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.526823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.526823 (E_RNA)
where:
Base-Base interactions energy: -47.772
where: short stacking energy: -35.955
Base-Backbone interact. energy: -0.245
local terms energy: -56.510326
where:
bonds (distance) C4'-P energy: -13.608
bonds (distance) P-C4' energy: -15.814
flat angles C4'-P-C4' energy: -16.338
flat angles P-C4'-P energy: -5.707
tors. eta vs tors. theta energy: -5.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -137.477485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.477485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.477485 (E_RNA)
where:
Base-Base interactions energy: -69.498
where: short stacking energy: -28.967
Base-Backbone interact. energy: -0.290
local terms energy: -67.689366
where:
bonds (distance) C4'-P energy: -21.776
bonds (distance) P-C4' energy: -15.149
flat angles C4'-P-C4' energy: -15.985
flat angles P-C4'-P energy: -8.721
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: 1, replica: 7
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -329.187325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.187325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.187325 (E_RNA)
where:
Base-Base interactions energy: -226.169
where: short stacking energy: -88.153
Base-Backbone interact. energy: -0.384
local terms energy: -102.634708
where:
bonds (distance) C4'-P energy: -23.876
bonds (distance) P-C4' energy: -21.224
flat angles C4'-P-C4' energy: -18.950
flat angles P-C4'-P energy: -15.514
tors. eta vs tors. theta energy: -23.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -325.892920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.892920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.892920 (E_RNA)
where:
Base-Base interactions energy: -221.864
where: short stacking energy: -101.684
Base-Backbone interact. energy: -0.277
local terms energy: -103.752113
where:
bonds (distance) C4'-P energy: -17.971
bonds (distance) P-C4' energy: -20.242
flat angles C4'-P-C4' energy: -23.046
flat angles P-C4'-P energy: -15.600
tors. eta vs tors. theta energy: -26.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -286.847755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.847755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.847755 (E_RNA)
where:
Base-Base interactions energy: -194.764
where: short stacking energy: -82.801
Base-Backbone interact. energy: -0.111
local terms energy: -91.972354
where:
bonds (distance) C4'-P energy: -20.937
bonds (distance) P-C4' energy: -15.248
flat angles C4'-P-C4' energy: -20.714
flat angles P-C4'-P energy: -14.423
tors. eta vs tors. theta energy: -20.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -299.714713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.714713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.714713 (E_RNA)
where:
Base-Base interactions energy: -202.789
where: short stacking energy: -82.051
Base-Backbone interact. energy: -0.052
local terms energy: -96.873354
where:
bonds (distance) C4'-P energy: -18.997
bonds (distance) P-C4' energy: -22.068
flat angles C4'-P-C4' energy: -21.375
flat angles P-C4'-P energy: -11.063
tors. eta vs tors. theta energy: -23.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -261.854368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.854368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.854368 (E_RNA)
where:
Base-Base interactions energy: -169.191
where: short stacking energy: -88.496
Base-Backbone interact. energy: -0.020
local terms energy: -92.643860
where:
bonds (distance) C4'-P energy: -21.312
bonds (distance) P-C4' energy: -16.565
flat angles C4'-P-C4' energy: -18.928
flat angles P-C4'-P energy: -11.808
tors. eta vs tors. theta energy: -24.031
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: 114
Temperature: 1.150000
Total energy: -220.263495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.263495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.263495 (E_RNA)
where:
Base-Base interactions energy: -138.519
where: short stacking energy: -68.983
Base-Backbone interact. energy: -0.494
local terms energy: -81.250968
where:
bonds (distance) C4'-P energy: -14.708
bonds (distance) P-C4' energy: -13.848
flat angles C4'-P-C4' energy: -18.687
flat angles P-C4'-P energy: -14.625
tors. eta vs tors. theta energy: -19.383
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: 7, replica: 5
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -231.823605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.823605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.823605 (E_RNA)
where:
Base-Base interactions energy: -151.122
where: short stacking energy: -69.609
Base-Backbone interact. energy: -0.099
local terms energy: -80.602253
where:
bonds (distance) C4'-P energy: -21.110
bonds (distance) P-C4' energy: -14.989
flat angles C4'-P-C4' energy: -18.258
flat angles P-C4'-P energy: -10.872
tors. eta vs tors. theta energy: -15.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -131.156301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.156301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.156301 (E_RNA)
where:
Base-Base interactions energy: -69.269
where: short stacking energy: -46.501
Base-Backbone interact. energy: -0.215
local terms energy: -61.673058
where:
bonds (distance) C4'-P energy: -15.505
bonds (distance) P-C4' energy: -17.662
flat angles C4'-P-C4' energy: -15.312
flat angles P-C4'-P energy: -1.717
tors. eta vs tors. theta energy: -11.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -97.783500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.783500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.783500 (E_RNA)
where:
Base-Base interactions energy: -39.498
where: short stacking energy: -37.313
Base-Backbone interact. energy: -1.541
local terms energy: -56.744746
where:
bonds (distance) C4'-P energy: -17.064
bonds (distance) P-C4' energy: -16.107
flat angles C4'-P-C4' energy: -14.820
flat angles P-C4'-P energy: -9.831
tors. eta vs tors. theta energy: 1.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -95.180384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.180384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.180384 (E_RNA)
where:
Base-Base interactions energy: -26.675
where: short stacking energy: -26.675
Base-Backbone interact. energy: -0.303
local terms energy: -68.202028
where:
bonds (distance) C4'-P energy: -16.280
bonds (distance) P-C4' energy: -17.129
flat angles C4'-P-C4' energy: -13.709
flat angles P-C4'-P energy: -14.508
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: 1, replica: 7
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -338.822139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.822139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.822139 (E_RNA)
where:
Base-Base interactions energy: -233.823
where: short stacking energy: -92.104
Base-Backbone interact. energy: 0.069
local terms energy: -105.068576
where:
bonds (distance) C4'-P energy: -20.041
bonds (distance) P-C4' energy: -22.969
flat angles C4'-P-C4' energy: -24.416
flat angles P-C4'-P energy: -13.918
tors. eta vs tors. theta energy: -23.724
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: 3
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -292.816457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.816457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.816457 (E_RNA)
where:
Base-Base interactions energy: -189.436
where: short stacking energy: -82.756
Base-Backbone interact. energy: -0.521
local terms energy: -102.859517
where:
bonds (distance) C4'-P energy: -23.489
bonds (distance) P-C4' energy: -21.250
flat angles C4'-P-C4' energy: -21.168
flat angles P-C4'-P energy: -16.605
tors. eta vs tors. theta energy: -20.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -325.606267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.606267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.606267 (E_RNA)
where:
Base-Base interactions energy: -231.789
where: short stacking energy: -93.233
Base-Backbone interact. energy: -0.318
local terms energy: -93.498881
where:
bonds (distance) C4'-P energy: -18.263
bonds (distance) P-C4' energy: -20.123
flat angles C4'-P-C4' energy: -20.134
flat angles P-C4'-P energy: -14.043
tors. eta vs tors. theta energy: -20.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -273.348302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.348302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.348302 (E_RNA)
where:
Base-Base interactions energy: -190.515
where: short stacking energy: -74.518
Base-Backbone interact. energy: -0.287
local terms energy: -82.546340
where:
bonds (distance) C4'-P energy: -17.363
bonds (distance) P-C4' energy: -21.306
flat angles C4'-P-C4' energy: -15.119
flat angles P-C4'-P energy: -11.577
tors. eta vs tors. theta energy: -17.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -280.527367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.527367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.527367 (E_RNA)
where:
Base-Base interactions energy: -193.074
where: short stacking energy: -85.910
Base-Backbone interact. energy: -0.895
local terms energy: -86.557850
where:
bonds (distance) C4'-P energy: -11.128
bonds (distance) P-C4' energy: -16.670
flat angles C4'-P-C4' energy: -16.548
flat angles P-C4'-P energy: -17.812
tors. eta vs tors. theta energy: -24.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -230.685452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.685452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.685452 (E_RNA)
where:
Base-Base interactions energy: -153.223
where: short stacking energy: -71.299
Base-Backbone interact. energy: -0.245
local terms energy: -77.217389
where:
bonds (distance) C4'-P energy: -12.962
bonds (distance) P-C4' energy: -16.223
flat angles C4'-P-C4' energy: -19.087
flat angles P-C4'-P energy: -10.094
tors. eta vs tors. theta energy: -18.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -224.926801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.926801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.926801 (E_RNA)
where:
Base-Base interactions energy: -150.894
where: short stacking energy: -75.268
Base-Backbone interact. energy: -0.147
local terms energy: -73.885952
where:
bonds (distance) C4'-P energy: -15.822
bonds (distance) P-C4' energy: -17.861
flat angles C4'-P-C4' energy: -15.785
flat angles P-C4'-P energy: -4.999
tors. eta vs tors. theta energy: -19.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -121.958691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.958691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.958691 (E_RNA)
where:
Base-Base interactions energy: -49.800
where: short stacking energy: -41.016
Base-Backbone interact. energy: -0.291
local terms energy: -71.866931
where:
bonds (distance) C4'-P energy: -14.275
bonds (distance) P-C4' energy: -23.496
flat angles C4'-P-C4' energy: -17.261
flat angles P-C4'-P energy: -9.667
tors. eta vs tors. theta energy: -7.167
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: 9
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -113.163082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.163082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.163082 (E_RNA)
where:
Base-Base interactions energy: -47.914
where: short stacking energy: -33.533
Base-Backbone interact. energy: -1.222
local terms energy: -64.026968
where:
bonds (distance) C4'-P energy: -17.724
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -18.006
flat angles P-C4'-P energy: -11.132
tors. eta vs tors. theta energy: -0.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -99.311641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.311641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.311641 (E_RNA)
where:
Base-Base interactions energy: -41.301
where: short stacking energy: -27.969
Base-Backbone interact. energy: -0.075
local terms energy: -57.936021
where:
bonds (distance) C4'-P energy: -16.517
bonds (distance) P-C4' energy: -15.149
flat angles C4'-P-C4' energy: -10.114
flat angles P-C4'-P energy: -12.782
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: 1, replica: 7
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -327.309706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.309706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.309706 (E_RNA)
where:
Base-Base interactions energy: -221.395
where: short stacking energy: -92.242
Base-Backbone interact. energy: -0.116
local terms energy: -105.798920
where:
bonds (distance) C4'-P energy: -21.552
bonds (distance) P-C4' energy: -22.400
flat angles C4'-P-C4' energy: -22.239
flat angles P-C4'-P energy: -14.507
tors. eta vs tors. theta energy: -25.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -295.018986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.018986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.018986 (E_RNA)
where:
Base-Base interactions energy: -200.723
where: short stacking energy: -86.392
Base-Backbone interact. energy: -0.085
local terms energy: -94.210925
where:
bonds (distance) C4'-P energy: -14.928
bonds (distance) P-C4' energy: -23.685
flat angles C4'-P-C4' energy: -18.998
flat angles P-C4'-P energy: -16.008
tors. eta vs tors. theta energy: -20.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -269.392587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.392587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.392587 (E_RNA)
where:
Base-Base interactions energy: -172.274
where: short stacking energy: -85.473
Base-Backbone interact. energy: -1.624
local terms energy: -95.494813
where:
bonds (distance) C4'-P energy: -17.346
bonds (distance) P-C4' energy: -23.597
flat angles C4'-P-C4' energy: -21.632
flat angles P-C4'-P energy: -11.322
tors. eta vs tors. theta energy: -21.598
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: 4, replica: 2
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -319.741329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.741329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.741329 (E_RNA)
where:
Base-Base interactions energy: -219.983
where: short stacking energy: -98.317
Base-Backbone interact. energy: -0.517
local terms energy: -99.241409
where:
bonds (distance) C4'-P energy: -13.175
bonds (distance) P-C4' energy: -24.164
flat angles C4'-P-C4' energy: -19.820
flat angles P-C4'-P energy: -13.954
tors. eta vs tors. theta energy: -28.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -244.266837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.266837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.266837 (E_RNA)
where:
Base-Base interactions energy: -161.817
where: short stacking energy: -77.787
Base-Backbone interact. energy: -0.056
local terms energy: -82.393697
where:
bonds (distance) C4'-P energy: -15.678
bonds (distance) P-C4' energy: -14.136
flat angles C4'-P-C4' energy: -22.393
flat angles P-C4'-P energy: -7.101
tors. eta vs tors. theta energy: -23.086
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: 10
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -258.166108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.166108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.166108 (E_RNA)
where:
Base-Base interactions energy: -170.252
where: short stacking energy: -72.797
Base-Backbone interact. energy: -0.647
local terms energy: -87.266783
where:
bonds (distance) C4'-P energy: -16.843
bonds (distance) P-C4' energy: -17.546
flat angles C4'-P-C4' energy: -16.839
flat angles P-C4'-P energy: -13.807
tors. eta vs tors. theta energy: -22.232
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: 5
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -237.731260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.731260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.731260 (E_RNA)
where:
Base-Base interactions energy: -161.043
where: short stacking energy: -63.622
Base-Backbone interact. energy: 4.926
local terms energy: -81.613517
where:
bonds (distance) C4'-P energy: -11.394
bonds (distance) P-C4' energy: -18.155
flat angles C4'-P-C4' energy: -18.131
flat angles P-C4'-P energy: -16.257
tors. eta vs tors. theta energy: -17.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -127.808290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.808290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.808290 (E_RNA)
where:
Base-Base interactions energy: -44.315
where: short stacking energy: -44.315
Base-Backbone interact. energy: -0.181
local terms energy: -83.312132
where:
bonds (distance) C4'-P energy: -19.011
bonds (distance) P-C4' energy: -19.147
flat angles C4'-P-C4' energy: -23.452
flat angles P-C4'-P energy: -10.539
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: 9, replica: 9
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -120.464221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.464221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.464221 (E_RNA)
where:
Base-Base interactions energy: -46.503
where: short stacking energy: -40.530
Base-Backbone interact. energy: -0.403
local terms energy: -73.557665
where:
bonds (distance) C4'-P energy: -17.323
bonds (distance) P-C4' energy: -20.300
flat angles C4'-P-C4' energy: -18.903
flat angles P-C4'-P energy: -12.354
tors. eta vs tors. theta energy: -4.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -96.736389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.736389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.736389 (E_RNA)
where:
Base-Base interactions energy: -38.926
where: short stacking energy: -27.567
Base-Backbone interact. energy: 3.641
local terms energy: -61.451288
where:
bonds (distance) C4'-P energy: -13.883
bonds (distance) P-C4' energy: -20.101
flat angles C4'-P-C4' energy: -19.189
flat angles P-C4'-P energy: -11.569
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: 7
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -331.722491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.722491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.722491 (E_RNA)
where:
Base-Base interactions energy: -228.311
where: short stacking energy: -92.396
Base-Backbone interact. energy: 1.700
local terms energy: -105.112195
where:
bonds (distance) C4'-P energy: -20.304
bonds (distance) P-C4' energy: -17.293
flat angles C4'-P-C4' energy: -21.548
flat angles P-C4'-P energy: -17.898
tors. eta vs tors. theta energy: -28.069
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: 8
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -278.896769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.896769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.896769 (E_RNA)
where:
Base-Base interactions energy: -183.851
where: short stacking energy: -86.213
Base-Backbone interact. energy: -1.487
local terms energy: -93.559558
where:
bonds (distance) C4'-P energy: -21.420
bonds (distance) P-C4' energy: -15.650
flat angles C4'-P-C4' energy: -18.735
flat angles P-C4'-P energy: -15.863
tors. eta vs tors. theta energy: -21.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -294.441560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.441560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.441560 (E_RNA)
where:
Base-Base interactions energy: -201.873
where: short stacking energy: -80.045
Base-Backbone interact. energy: -0.019
local terms energy: -92.549826
where:
bonds (distance) C4'-P energy: -16.449
bonds (distance) P-C4' energy: -21.939
flat angles C4'-P-C4' energy: -20.746
flat angles P-C4'-P energy: -14.283
tors. eta vs tors. theta energy: -19.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -307.818004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.818004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.818004 (E_RNA)
where:
Base-Base interactions energy: -210.308
where: short stacking energy: -80.941
Base-Backbone interact. energy: -0.155
local terms energy: -97.355246
where:
bonds (distance) C4'-P energy: -15.069
bonds (distance) P-C4' energy: -21.534
flat angles C4'-P-C4' energy: -19.487
flat angles P-C4'-P energy: -14.169
tors. eta vs tors. theta energy: -27.097
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: 117
Temperature: 1.100000
Total energy: -239.248687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.248687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.248687 (E_RNA)
where:
Base-Base interactions energy: -152.306
where: short stacking energy: -74.619
Base-Backbone interact. energy: 0.580
local terms energy: -87.522431
where:
bonds (distance) C4'-P energy: -15.815
bonds (distance) P-C4' energy: -22.703
flat angles C4'-P-C4' energy: -20.502
flat angles P-C4'-P energy: -11.196
tors. eta vs tors. theta energy: -17.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -254.207684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.207684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.207684 (E_RNA)
where:
Base-Base interactions energy: -154.918
where: short stacking energy: -72.620
Base-Backbone interact. energy: -0.872
local terms energy: -98.417934
where:
bonds (distance) C4'-P energy: -21.328
bonds (distance) P-C4' energy: -21.652
flat angles C4'-P-C4' energy: -18.582
flat angles P-C4'-P energy: -15.161
tors. eta vs tors. theta energy: -21.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -225.982567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.982567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.982567 (E_RNA)
where:
Base-Base interactions energy: -146.666
where: short stacking energy: -66.658
Base-Backbone interact. energy: -0.139
local terms energy: -79.177441
where:
bonds (distance) C4'-P energy: -15.806
bonds (distance) P-C4' energy: -19.013
flat angles C4'-P-C4' energy: -20.678
flat angles P-C4'-P energy: -14.409
tors. eta vs tors. theta energy: -9.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -124.968828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.968828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.968828 (E_RNA)
where:
Base-Base interactions energy: -53.705
where: short stacking energy: -53.705
Base-Backbone interact. energy: -0.145
local terms energy: -71.119172
where:
bonds (distance) C4'-P energy: -18.001
bonds (distance) P-C4' energy: -15.598
flat angles C4'-P-C4' energy: -12.758
flat angles P-C4'-P energy: -11.212
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: 9, replica: 6
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -107.677250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.677250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.677250 (E_RNA)
where:
Base-Base interactions energy: -44.932
where: short stacking energy: -43.806
Base-Backbone interact. energy: -0.258
local terms energy: -62.486986
where:
bonds (distance) C4'-P energy: -14.780
bonds (distance) P-C4' energy: -17.424
flat angles C4'-P-C4' energy: -18.519
flat angles P-C4'-P energy: -6.558
tors. eta vs tors. theta energy: -5.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -100.485885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.485885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.485885 (E_RNA)
where:
Base-Base interactions energy: -40.472
where: short stacking energy: -39.984
Base-Backbone interact. energy: -0.096
local terms energy: -59.917348
where:
bonds (distance) C4'-P energy: -14.410
bonds (distance) P-C4' energy: -15.804
flat angles C4'-P-C4' energy: -14.707
flat angles P-C4'-P energy: -10.578
tors. eta vs tors. theta energy: -4.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -334.406652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.406652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.406652 (E_RNA)
where:
Base-Base interactions energy: -230.921
where: short stacking energy: -92.195
Base-Backbone interact. energy: -0.814
local terms energy: -102.672086
where:
bonds (distance) C4'-P energy: -20.695
bonds (distance) P-C4' energy: -18.485
flat angles C4'-P-C4' energy: -22.330
flat angles P-C4'-P energy: -16.887
tors. eta vs tors. theta energy: -24.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -284.237732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.237732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.237732 (E_RNA)
where:
Base-Base interactions energy: -186.137
where: short stacking energy: -76.024
Base-Backbone interact. energy: 0.830
local terms energy: -98.930650
where:
bonds (distance) C4'-P energy: -20.450
bonds (distance) P-C4' energy: -22.500
flat angles C4'-P-C4' energy: -22.314
flat angles P-C4'-P energy: -15.927
tors. eta vs tors. theta energy: -17.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -314.680341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.680341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.680341 (E_RNA)
where:
Base-Base interactions energy: -208.898
where: short stacking energy: -88.503
Base-Backbone interact. energy: -0.113
local terms energy: -105.670156
where:
bonds (distance) C4'-P energy: -20.807
bonds (distance) P-C4' energy: -21.974
flat angles C4'-P-C4' energy: -21.051
flat angles P-C4'-P energy: -16.185
tors. eta vs tors. theta energy: -25.654
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: 3
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -279.637077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.637077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.637077 (E_RNA)
where:
Base-Base interactions energy: -180.897
where: short stacking energy: -76.563
Base-Backbone interact. energy: -0.456
local terms energy: -98.284237
where:
bonds (distance) C4'-P energy: -21.421
bonds (distance) P-C4' energy: -20.464
flat angles C4'-P-C4' energy: -19.955
flat angles P-C4'-P energy: -13.393
tors. eta vs tors. theta energy: -23.051
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: 10
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -257.024594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.024594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.024594 (E_RNA)
where:
Base-Base interactions energy: -171.049
where: short stacking energy: -88.154
Base-Backbone interact. energy: -0.236
local terms energy: -85.739564
where:
bonds (distance) C4'-P energy: -19.724
bonds (distance) P-C4' energy: -18.146
flat angles C4'-P-C4' energy: -18.199
flat angles P-C4'-P energy: -9.413
tors. eta vs tors. theta energy: -20.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -234.023030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.023030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.023030 (E_RNA)
where:
Base-Base interactions energy: -148.339
where: short stacking energy: -70.426
Base-Backbone interact. energy: 0.614
local terms energy: -86.297873
where:
bonds (distance) C4'-P energy: -14.908
bonds (distance) P-C4' energy: -21.211
flat angles C4'-P-C4' energy: -17.637
flat angles P-C4'-P energy: -11.282
tors. eta vs tors. theta energy: -21.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -228.638032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.638032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.638032 (E_RNA)
where:
Base-Base interactions energy: -142.484
where: short stacking energy: -62.064
Base-Backbone interact. energy: -0.036
local terms energy: -86.117944
where:
bonds (distance) C4'-P energy: -17.524
bonds (distance) P-C4' energy: -19.523
flat angles C4'-P-C4' energy: -17.910
flat angles P-C4'-P energy: -14.244
tors. eta vs tors. theta energy: -16.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -129.837910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.837910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.837910 (E_RNA)
where:
Base-Base interactions energy: -53.316
where: short stacking energy: -47.978
Base-Backbone interact. energy: -0.417
local terms energy: -76.104831
where:
bonds (distance) C4'-P energy: -20.127
bonds (distance) P-C4' energy: -16.636
flat angles C4'-P-C4' energy: -16.936
flat angles P-C4'-P energy: -13.331
tors. eta vs tors. theta energy: -9.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -122.146113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.146113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.146113 (E_RNA)
where:
Base-Base interactions energy: -62.494
where: short stacking energy: -39.501
Base-Backbone interact. energy: -0.388
local terms energy: -59.264604
where:
bonds (distance) C4'-P energy: -11.645
bonds (distance) P-C4' energy: -17.009
flat angles C4'-P-C4' energy: -16.639
flat angles P-C4'-P energy: -6.526
tors. eta vs tors. theta energy: -7.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -116.930602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.930602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.930602 (E_RNA)
where:
Base-Base interactions energy: -46.884
where: short stacking energy: -42.550
Base-Backbone interact. energy: 1.303
local terms energy: -71.349646
where:
bonds (distance) C4'-P energy: -18.964
bonds (distance) P-C4' energy: -13.248
flat angles C4'-P-C4' energy: -17.679
flat angles P-C4'-P energy: -15.451
tors. eta vs tors. theta energy: -6.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -324.558425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.558425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.558425 (E_RNA)
where:
Base-Base interactions energy: -229.011
where: short stacking energy: -94.014
Base-Backbone interact. energy: -0.100
local terms energy: -95.447382
where:
bonds (distance) C4'-P energy: -9.045
bonds (distance) P-C4' energy: -19.124
flat angles C4'-P-C4' energy: -22.126
flat angles P-C4'-P energy: -17.453
tors. eta vs tors. theta energy: -27.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -326.890679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.890679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.890679 (E_RNA)
where:
Base-Base interactions energy: -221.988
where: short stacking energy: -94.108
Base-Backbone interact. energy: -0.161
local terms energy: -104.741649
where:
bonds (distance) C4'-P energy: -15.802
bonds (distance) P-C4' energy: -18.716
flat angles C4'-P-C4' energy: -24.949
flat angles P-C4'-P energy: -16.617
tors. eta vs tors. theta energy: -28.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -281.975486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.975486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.975486 (E_RNA)
where:
Base-Base interactions energy: -193.316
where: short stacking energy: -77.958
Base-Backbone interact. energy: -0.186
local terms energy: -88.472740
where:
bonds (distance) C4'-P energy: -17.645
bonds (distance) P-C4' energy: -20.649
flat angles C4'-P-C4' energy: -19.094
flat angles P-C4'-P energy: -13.286
tors. eta vs tors. theta energy: -17.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -273.725772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.725772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.725772 (E_RNA)
where:
Base-Base interactions energy: -188.614
where: short stacking energy: -69.975
Base-Backbone interact. energy: -0.885
local terms energy: -84.226542
where:
bonds (distance) C4'-P energy: -11.090
bonds (distance) P-C4' energy: -22.631
flat angles C4'-P-C4' energy: -18.172
flat angles P-C4'-P energy: -15.914
tors. eta vs tors. theta energy: -16.419
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: 10
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -256.483045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.483045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.483045 (E_RNA)
where:
Base-Base interactions energy: -159.968
where: short stacking energy: -69.402
Base-Backbone interact. energy: -0.684
local terms energy: -95.830929
where:
bonds (distance) C4'-P energy: -19.999
bonds (distance) P-C4' energy: -19.741
flat angles C4'-P-C4' energy: -19.682
flat angles P-C4'-P energy: -12.965
tors. eta vs tors. theta energy: -23.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -221.060900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.060900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.060900 (E_RNA)
where:
Base-Base interactions energy: -147.345
where: short stacking energy: -65.376
Base-Backbone interact. energy: -0.433
local terms energy: -73.282477
where:
bonds (distance) C4'-P energy: -17.745
bonds (distance) P-C4' energy: -20.524
flat angles C4'-P-C4' energy: -10.035
flat angles P-C4'-P energy: -11.623
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: 7, replica: 4
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -216.969596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.969596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.969596 (E_RNA)
where:
Base-Base interactions energy: -132.302
where: short stacking energy: -57.307
Base-Backbone interact. energy: -1.248
local terms energy: -83.419873
where:
bonds (distance) C4'-P energy: -18.589
bonds (distance) P-C4' energy: -21.052
flat angles C4'-P-C4' energy: -16.957
flat angles P-C4'-P energy: -13.556
tors. eta vs tors. theta energy: -13.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -120.118217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.118217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.118217 (E_RNA)
where:
Base-Base interactions energy: -55.472
where: short stacking energy: -39.953
Base-Backbone interact. energy: -0.345
local terms energy: -64.301352
where:
bonds (distance) C4'-P energy: -14.903
bonds (distance) P-C4' energy: -22.043
flat angles C4'-P-C4' energy: -18.807
flat angles P-C4'-P energy: -6.524
tors. eta vs tors. theta energy: -2.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -106.407800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.407800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.407800 (E_RNA)
where:
Base-Base interactions energy: -47.203
where: short stacking energy: -38.055
Base-Backbone interact. energy: 0.165
local terms energy: -59.370424
where:
bonds (distance) C4'-P energy: -10.739
bonds (distance) P-C4' energy: -18.069
flat angles C4'-P-C4' energy: -13.232
flat angles P-C4'-P energy: -11.607
tors. eta vs tors. theta energy: -5.724
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: 10, replica: 6
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -103.930522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.930522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.930522 (E_RNA)
where:
Base-Base interactions energy: -45.084
where: short stacking energy: -37.110
Base-Backbone interact. energy: -0.025
local terms energy: -58.821350
where:
bonds (distance) C4'-P energy: -14.279
bonds (distance) P-C4' energy: -17.350
flat angles C4'-P-C4' energy: -20.239
flat angles P-C4'-P energy: -5.446
tors. eta vs tors. theta energy: -1.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -333.110549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.110549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.110549 (E_RNA)
where:
Base-Base interactions energy: -224.915
where: short stacking energy: -96.544
Base-Backbone interact. energy: 0.374
local terms energy: -108.569336
where:
bonds (distance) C4'-P energy: -18.638
bonds (distance) P-C4' energy: -19.371
flat angles C4'-P-C4' energy: -24.042
flat angles P-C4'-P energy: -16.591
tors. eta vs tors. theta energy: -29.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -327.917764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.917764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.917764 (E_RNA)
where:
Base-Base interactions energy: -224.726
where: short stacking energy: -93.592
Base-Backbone interact. energy: 0.187
local terms energy: -103.378285
where:
bonds (distance) C4'-P energy: -18.980
bonds (distance) P-C4' energy: -23.077
flat angles C4'-P-C4' energy: -21.377
flat angles P-C4'-P energy: -15.830
tors. eta vs tors. theta energy: -24.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -301.747417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.747417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.747417 (E_RNA)
where:
Base-Base interactions energy: -202.308
where: short stacking energy: -89.842
Base-Backbone interact. energy: -0.262
local terms energy: -99.177456
where:
bonds (distance) C4'-P energy: -15.428
bonds (distance) P-C4' energy: -19.059
flat angles C4'-P-C4' energy: -23.557
flat angles P-C4'-P energy: -15.820
tors. eta vs tors. theta energy: -25.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -278.077945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.077945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.077945 (E_RNA)
where:
Base-Base interactions energy: -187.213
where: short stacking energy: -80.373
Base-Backbone interact. energy: -0.443
local terms energy: -90.421874
where:
bonds (distance) C4'-P energy: -18.796
bonds (distance) P-C4' energy: -17.636
flat angles C4'-P-C4' energy: -20.873
flat angles P-C4'-P energy: -13.226
tors. eta vs tors. theta energy: -19.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -235.519195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.519195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.519195 (E_RNA)
where:
Base-Base interactions energy: -151.040
where: short stacking energy: -66.425
Base-Backbone interact. energy: -0.323
local terms energy: -84.156638
where:
bonds (distance) C4'-P energy: -18.099
bonds (distance) P-C4' energy: -21.485
flat angles C4'-P-C4' energy: -20.222
flat angles P-C4'-P energy: -10.787
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: 6, replica: 10
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -232.930532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.930532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.930532 (E_RNA)
where:
Base-Base interactions energy: -152.054
where: short stacking energy: -71.725
Base-Backbone interact. energy: -0.246
local terms energy: -80.629644
where:
bonds (distance) C4'-P energy: -12.424
bonds (distance) P-C4' energy: -22.011
flat angles C4'-P-C4' energy: -16.619
flat angles P-C4'-P energy: -13.037
tors. eta vs tors. theta energy: -16.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -218.681476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.681476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.681476 (E_RNA)
where:
Base-Base interactions energy: -143.163
where: short stacking energy: -61.658
Base-Backbone interact. energy: -0.958
local terms energy: -74.560430
where:
bonds (distance) C4'-P energy: -17.024
bonds (distance) P-C4' energy: -15.562
flat angles C4'-P-C4' energy: -18.471
flat angles P-C4'-P energy: -10.079
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: 8, replica: 1
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -106.401505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.401505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.401505 (E_RNA)
where:
Base-Base interactions energy: -51.815
where: short stacking energy: -26.745
Base-Backbone interact. energy: 6.428
local terms energy: -61.014373
where:
bonds (distance) C4'-P energy: -24.082
bonds (distance) P-C4' energy: -19.279
flat angles C4'-P-C4' energy: -14.383
flat angles P-C4'-P energy: -9.901
tors. eta vs tors. theta energy: 6.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -106.570806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.570806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.570806 (E_RNA)
where:
Base-Base interactions energy: -42.847
where: short stacking energy: -42.796
Base-Backbone interact. energy: -0.202
local terms energy: -63.521592
where:
bonds (distance) C4'-P energy: -14.137
bonds (distance) P-C4' energy: -21.033
flat angles C4'-P-C4' energy: -11.858
flat angles P-C4'-P energy: -11.951
tors. eta vs tors. theta energy: -4.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -109.087988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.087988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.087988 (E_RNA)
where:
Base-Base interactions energy: -33.502
where: short stacking energy: -33.502
Base-Backbone interact. energy: -0.048
local terms energy: -75.537219
where:
bonds (distance) C4'-P energy: -22.456
bonds (distance) P-C4' energy: -19.807
flat angles C4'-P-C4' energy: -16.080
flat angles P-C4'-P energy: -9.846
tors. eta vs tors. theta energy: -7.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -334.018737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.018737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.018737 (E_RNA)
where:
Base-Base interactions energy: -232.830
where: short stacking energy: -103.865
Base-Backbone interact. energy: 0.341
local terms energy: -101.529502
where:
bonds (distance) C4'-P energy: -20.046
bonds (distance) P-C4' energy: -18.380
flat angles C4'-P-C4' energy: -23.376
flat angles P-C4'-P energy: -13.961
tors. eta vs tors. theta energy: -25.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -298.571551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.571551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.571551 (E_RNA)
where:
Base-Base interactions energy: -209.721
where: short stacking energy: -86.531
Base-Backbone interact. energy: -0.587
local terms energy: -88.263621
where:
bonds (distance) C4'-P energy: -17.996
bonds (distance) P-C4' energy: -19.891
flat angles C4'-P-C4' energy: -17.178
flat angles P-C4'-P energy: -10.619
tors. eta vs tors. theta energy: -22.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -314.944083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.944083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.944083 (E_RNA)
where:
Base-Base interactions energy: -226.847
where: short stacking energy: -79.146
Base-Backbone interact. energy: 1.133
local terms energy: -89.229726
where:
bonds (distance) C4'-P energy: -17.867
bonds (distance) P-C4' energy: -16.069
flat angles C4'-P-C4' energy: -18.301
flat angles P-C4'-P energy: -10.662
tors. eta vs tors. theta energy: -26.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -255.842816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.842816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.842816 (E_RNA)
where:
Base-Base interactions energy: -169.921
where: short stacking energy: -76.248
Base-Backbone interact. energy: 0.128
local terms energy: -86.049438
where:
bonds (distance) C4'-P energy: -22.653
bonds (distance) P-C4' energy: -19.353
flat angles C4'-P-C4' energy: -16.940
flat angles P-C4'-P energy: -10.575
tors. eta vs tors. theta energy: -16.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -231.243724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.243724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.243724 (E_RNA)
where:
Base-Base interactions energy: -158.683
where: short stacking energy: -60.795
Base-Backbone interact. energy: -0.705
local terms energy: -71.856127
where:
bonds (distance) C4'-P energy: -9.590
bonds (distance) P-C4' energy: -21.037
flat angles C4'-P-C4' energy: -16.214
flat angles P-C4'-P energy: -15.094
tors. eta vs tors. theta energy: -9.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -249.093489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.093489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.093489 (E_RNA)
where:
Base-Base interactions energy: -154.290
where: short stacking energy: -76.818
Base-Backbone interact. energy: -0.097
local terms energy: -94.705699
where:
bonds (distance) C4'-P energy: -19.865
bonds (distance) P-C4' energy: -21.588
flat angles C4'-P-C4' energy: -17.941
flat angles P-C4'-P energy: -14.326
tors. eta vs tors. theta energy: -20.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -210.504425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.504425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.504425 (E_RNA)
where:
Base-Base interactions energy: -130.307
where: short stacking energy: -62.375
Base-Backbone interact. energy: -0.839
local terms energy: -79.358594
where:
bonds (distance) C4'-P energy: -16.312
bonds (distance) P-C4' energy: -21.489
flat angles C4'-P-C4' energy: -19.646
flat angles P-C4'-P energy: -9.919
tors. eta vs tors. theta energy: -11.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -111.748942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.748942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.748942 (E_RNA)
where:
Base-Base interactions energy: -39.069
where: short stacking energy: -30.400
Base-Backbone interact. energy: -0.319
local terms energy: -72.361014
where:
bonds (distance) C4'-P energy: -17.902
bonds (distance) P-C4' energy: -13.565
flat angles C4'-P-C4' energy: -19.116
flat angles P-C4'-P energy: -14.548
tors. eta vs tors. theta energy: -7.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -127.557572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.557572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.557572 (E_RNA)
where:
Base-Base interactions energy: -55.305
where: short stacking energy: -37.215
Base-Backbone interact. energy: -0.066
local terms energy: -72.187003
where:
bonds (distance) C4'-P energy: -19.550
bonds (distance) P-C4' energy: -18.862
flat angles C4'-P-C4' energy: -18.766
flat angles P-C4'-P energy: -8.768
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: 10, replica: 6
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -95.520450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.520450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.520450 (E_RNA)
where:
Base-Base interactions energy: -34.939
where: short stacking energy: -24.346
Base-Backbone interact. energy: -0.251
local terms energy: -60.330299
where:
bonds (distance) C4'-P energy: -15.351
bonds (distance) P-C4' energy: -19.855
flat angles C4'-P-C4' energy: -16.918
flat angles P-C4'-P energy: -6.531
tors. eta vs tors. theta energy: -1.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -313.810980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.810980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.810980 (E_RNA)
where:
Base-Base interactions energy: -218.442
where: short stacking energy: -89.065
Base-Backbone interact. energy: -0.295
local terms energy: -95.073500
where:
bonds (distance) C4'-P energy: -19.680
bonds (distance) P-C4' energy: -19.467
flat angles C4'-P-C4' energy: -20.791
flat angles P-C4'-P energy: -8.535
tors. eta vs tors. theta energy: -26.601
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: 2
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -325.165060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.165060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.165060 (E_RNA)
where:
Base-Base interactions energy: -229.063
where: short stacking energy: -94.817
Base-Backbone interact. energy: -0.267
local terms energy: -95.835608
where:
bonds (distance) C4'-P energy: -16.622
bonds (distance) P-C4' energy: -18.309
flat angles C4'-P-C4' energy: -22.424
flat angles P-C4'-P energy: -9.690
tors. eta vs tors. theta energy: -28.792
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: 7
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -316.587256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.587256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.587256 (E_RNA)
where:
Base-Base interactions energy: -218.191
where: short stacking energy: -88.936
Base-Backbone interact. energy: -0.108
local terms energy: -98.288499
where:
bonds (distance) C4'-P energy: -17.815
bonds (distance) P-C4' energy: -23.070
flat angles C4'-P-C4' energy: -23.929
flat angles P-C4'-P energy: -8.695
tors. eta vs tors. theta energy: -24.780
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: 8
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -267.803389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.803389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.803389 (E_RNA)
where:
Base-Base interactions energy: -179.900
where: short stacking energy: -83.847
Base-Backbone interact. energy: 0.222
local terms energy: -88.125152
where:
bonds (distance) C4'-P energy: -18.539
bonds (distance) P-C4' energy: -17.826
flat angles C4'-P-C4' energy: -20.224
flat angles P-C4'-P energy: -12.507
tors. eta vs tors. theta energy: -19.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -256.014302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.014302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.014302 (E_RNA)
where:
Base-Base interactions energy: -171.615
where: short stacking energy: -64.015
Base-Backbone interact. energy: -0.134
local terms energy: -84.265748
where:
bonds (distance) C4'-P energy: -20.396
bonds (distance) P-C4' energy: -17.954
flat angles C4'-P-C4' energy: -17.295
flat angles P-C4'-P energy: -11.219
tors. eta vs tors. theta energy: -17.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -248.217510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.217510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.217510 (E_RNA)
where:
Base-Base interactions energy: -167.964
where: short stacking energy: -76.096
Base-Backbone interact. energy: -1.268
local terms energy: -78.985710
where:
bonds (distance) C4'-P energy: -13.565
bonds (distance) P-C4' energy: -19.340
flat angles C4'-P-C4' energy: -21.464
flat angles P-C4'-P energy: -12.373
tors. eta vs tors. theta energy: -12.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -239.377796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.377796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.377796 (E_RNA)
where:
Base-Base interactions energy: -157.577
where: short stacking energy: -70.986
Base-Backbone interact. energy: 0.138
local terms energy: -81.939334
where:
bonds (distance) C4'-P energy: -20.365
bonds (distance) P-C4' energy: -18.385
flat angles C4'-P-C4' energy: -19.108
flat angles P-C4'-P energy: -6.752
tors. eta vs tors. theta energy: -17.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -126.927872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.927872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.927872 (E_RNA)
where:
Base-Base interactions energy: -73.381
where: short stacking energy: -52.342
Base-Backbone interact. energy: -0.482
local terms energy: -53.064950
where:
bonds (distance) C4'-P energy: -12.456
bonds (distance) P-C4' energy: -11.082
flat angles C4'-P-C4' energy: -16.636
flat angles P-C4'-P energy: -9.608
tors. eta vs tors. theta energy: -3.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -110.467370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.467370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.467370 (E_RNA)
where:
Base-Base interactions energy: -50.609
where: short stacking energy: -39.112
Base-Backbone interact. energy: 0.164
local terms energy: -60.022808
where:
bonds (distance) C4'-P energy: -12.719
bonds (distance) P-C4' energy: -20.509
flat angles C4'-P-C4' energy: -9.934
flat angles P-C4'-P energy: -13.267
tors. eta vs tors. theta energy: -3.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -104.473789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.473789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.473789 (E_RNA)
where:
Base-Base interactions energy: -47.477
where: short stacking energy: -33.575
Base-Backbone interact. energy: 0.533
local terms energy: -57.529031
where:
bonds (distance) C4'-P energy: -13.894
bonds (distance) P-C4' energy: -14.316
flat angles C4'-P-C4' energy: -19.024
flat angles P-C4'-P energy: -7.407
tors. eta vs tors. theta energy: -2.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -310.764876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.764876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.764876 (E_RNA)
where:
Base-Base interactions energy: -216.089
where: short stacking energy: -88.940
Base-Backbone interact. energy: -0.219
local terms energy: -94.457231
where:
bonds (distance) C4'-P energy: -19.107
bonds (distance) P-C4' energy: -21.321
flat angles C4'-P-C4' energy: -22.452
flat angles P-C4'-P energy: -5.158
tors. eta vs tors. theta energy: -26.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -323.878621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.878621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.878621 (E_RNA)
where:
Base-Base interactions energy: -226.053
where: short stacking energy: -92.164
Base-Backbone interact. energy: 0.038
local terms energy: -97.863399
where:
bonds (distance) C4'-P energy: -18.542
bonds (distance) P-C4' energy: -21.846
flat angles C4'-P-C4' energy: -18.792
flat angles P-C4'-P energy: -16.918
tors. eta vs tors. theta energy: -21.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -310.906849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.906849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.906849 (E_RNA)
where:
Base-Base interactions energy: -206.526
where: short stacking energy: -82.991
Base-Backbone interact. energy: -1.511
local terms energy: -102.869360
where:
bonds (distance) C4'-P energy: -18.213
bonds (distance) P-C4' energy: -23.952
flat angles C4'-P-C4' energy: -21.211
flat angles P-C4'-P energy: -13.047
tors. eta vs tors. theta energy: -26.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -263.714683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.714683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.714683 (E_RNA)
where:
Base-Base interactions energy: -172.625
where: short stacking energy: -76.536
Base-Backbone interact. energy: 1.384
local terms energy: -92.473081
where:
bonds (distance) C4'-P energy: -18.141
bonds (distance) P-C4' energy: -22.864
flat angles C4'-P-C4' energy: -17.455
flat angles P-C4'-P energy: -14.448
tors. eta vs tors. theta energy: -19.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -249.223100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.223100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.223100 (E_RNA)
where:
Base-Base interactions energy: -161.071
where: short stacking energy: -67.343
Base-Backbone interact. energy: 0.120
local terms energy: -88.272037
where:
bonds (distance) C4'-P energy: -11.935
bonds (distance) P-C4' energy: -23.060
flat angles C4'-P-C4' energy: -16.610
flat angles P-C4'-P energy: -15.894
tors. eta vs tors. theta energy: -20.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -239.730959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.730959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.730959 (E_RNA)
where:
Base-Base interactions energy: -150.850
where: short stacking energy: -75.023
Base-Backbone interact. energy: -0.059
local terms energy: -88.821290
where:
bonds (distance) C4'-P energy: -19.497
bonds (distance) P-C4' energy: -20.735
flat angles C4'-P-C4' energy: -16.619
flat angles P-C4'-P energy: -12.212
tors. eta vs tors. theta energy: -19.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -263.895575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.895575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.895575 (E_RNA)
where:
Base-Base interactions energy: -186.967
where: short stacking energy: -73.866
Base-Backbone interact. energy: -0.843
local terms energy: -76.085541
where:
bonds (distance) C4'-P energy: -14.246
bonds (distance) P-C4' energy: -17.304
flat angles C4'-P-C4' energy: -16.921
flat angles P-C4'-P energy: -11.059
tors. eta vs tors. theta energy: -16.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -123.529301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.529301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.529301 (E_RNA)
where:
Base-Base interactions energy: -51.902
where: short stacking energy: -44.714
Base-Backbone interact. energy: -0.900
local terms energy: -70.727916
where:
bonds (distance) C4'-P energy: -16.481
bonds (distance) P-C4' energy: -16.802
flat angles C4'-P-C4' energy: -18.922
flat angles P-C4'-P energy: -15.741
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: 9, replica: 6
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -143.611562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.611562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.611562 (E_RNA)
where:
Base-Base interactions energy: -69.606
where: short stacking energy: -31.687
Base-Backbone interact. energy: 0.514
local terms energy: -74.519055
where:
bonds (distance) C4'-P energy: -19.784
bonds (distance) P-C4' energy: -19.454
flat angles C4'-P-C4' energy: -18.130
flat angles P-C4'-P energy: -12.719
tors. eta vs tors. theta energy: -4.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -92.460347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.460347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.460347 (E_RNA)
where:
Base-Base interactions energy: -37.691
where: short stacking energy: -33.138
Base-Backbone interact. energy: 0.184
local terms energy: -54.953656
where:
bonds (distance) C4'-P energy: -11.315
bonds (distance) P-C4' energy: -16.285
flat angles C4'-P-C4' energy: -16.229
flat angles P-C4'-P energy: -5.949
tors. eta vs tors. theta energy: -5.175
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: 1, replica: 7
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -316.228327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.228327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.228327 (E_RNA)
where:
Base-Base interactions energy: -213.037
where: short stacking energy: -84.608
Base-Backbone interact. energy: -0.091
local terms energy: -103.099779
where:
bonds (distance) C4'-P energy: -20.647
bonds (distance) P-C4' energy: -23.625
flat angles C4'-P-C4' energy: -23.710
flat angles P-C4'-P energy: -13.912
tors. eta vs tors. theta energy: -21.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -306.927767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.927767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.927767 (E_RNA)
where:
Base-Base interactions energy: -207.813
where: short stacking energy: -85.681
Base-Backbone interact. energy: -0.035
local terms energy: -99.079770
where:
bonds (distance) C4'-P energy: -16.262
bonds (distance) P-C4' energy: -24.618
flat angles C4'-P-C4' energy: -23.037
flat angles P-C4'-P energy: -13.304
tors. eta vs tors. theta energy: -21.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -268.705897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.705897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.705897 (E_RNA)
where:
Base-Base interactions energy: -177.574
where: short stacking energy: -71.152
Base-Backbone interact. energy: -1.520
local terms energy: -89.611456
where:
bonds (distance) C4'-P energy: -19.197
bonds (distance) P-C4' energy: -23.050
flat angles C4'-P-C4' energy: -21.665
flat angles P-C4'-P energy: -8.413
tors. eta vs tors. theta energy: -17.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -306.862199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.862199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.862199 (E_RNA)
where:
Base-Base interactions energy: -205.454
where: short stacking energy: -78.552
Base-Backbone interact. energy: -0.167
local terms energy: -101.240675
where:
bonds (distance) C4'-P energy: -19.594
bonds (distance) P-C4' energy: -17.764
flat angles C4'-P-C4' energy: -23.742
flat angles P-C4'-P energy: -17.831
tors. eta vs tors. theta energy: -22.308
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: 4
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -229.221686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.221686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.221686 (E_RNA)
where:
Base-Base interactions energy: -141.422
where: short stacking energy: -59.248
Base-Backbone interact. energy: -0.490
local terms energy: -87.309870
where:
bonds (distance) C4'-P energy: -20.484
bonds (distance) P-C4' energy: -20.982
flat angles C4'-P-C4' energy: -18.597
flat angles P-C4'-P energy: -11.164
tors. eta vs tors. theta energy: -16.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -253.774460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.774460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.774460 (E_RNA)
where:
Base-Base interactions energy: -165.632
where: short stacking energy: -64.942
Base-Backbone interact. energy: -0.552
local terms energy: -87.590535
where:
bonds (distance) C4'-P energy: -18.989
bonds (distance) P-C4' energy: -22.890
flat angles C4'-P-C4' energy: -20.118
flat angles P-C4'-P energy: -11.315
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: 7, replica: 5
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -240.148364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.148364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.148364 (E_RNA)
where:
Base-Base interactions energy: -169.689
where: short stacking energy: -69.265
Base-Backbone interact. energy: -0.584
local terms energy: -69.874548
where:
bonds (distance) C4'-P energy: -12.433
bonds (distance) P-C4' energy: -15.881
flat angles C4'-P-C4' energy: -13.580
flat angles P-C4'-P energy: -5.511
tors. eta vs tors. theta energy: -22.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -115.041338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.041338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.041338 (E_RNA)
where:
Base-Base interactions energy: -44.408
where: short stacking energy: -39.530
Base-Backbone interact. energy: 0.929
local terms energy: -71.561502
where:
bonds (distance) C4'-P energy: -18.008
bonds (distance) P-C4' energy: -21.821
flat angles C4'-P-C4' energy: -18.879
flat angles P-C4'-P energy: -11.087
tors. eta vs tors. theta energy: -1.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -115.049463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.049463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.049463 (E_RNA)
where:
Base-Base interactions energy: -42.045
where: short stacking energy: -42.045
Base-Backbone interact. energy: -0.122
local terms energy: -72.882809
where:
bonds (distance) C4'-P energy: -20.154
bonds (distance) P-C4' energy: -13.218
flat angles C4'-P-C4' energy: -19.229
flat angles P-C4'-P energy: -11.098
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: 10, replica: 6
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -145.728009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.728009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.728009 (E_RNA)
where:
Base-Base interactions energy: -78.682
where: short stacking energy: -42.574
Base-Backbone interact. energy: -0.592
local terms energy: -66.453941
where:
bonds (distance) C4'-P energy: -14.402
bonds (distance) P-C4' energy: -19.606
flat angles C4'-P-C4' energy: -17.908
flat angles P-C4'-P energy: -9.423
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: 1, replica: 7
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -314.090890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.090890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.090890 (E_RNA)
where:
Base-Base interactions energy: -211.181
where: short stacking energy: -93.289
Base-Backbone interact. energy: -0.120
local terms energy: -102.789621
where:
bonds (distance) C4'-P energy: -20.278
bonds (distance) P-C4' energy: -22.548
flat angles C4'-P-C4' energy: -20.730
flat angles P-C4'-P energy: -16.384
tors. eta vs tors. theta energy: -22.849
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: 3
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -303.961418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.961418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.961418 (E_RNA)
where:
Base-Base interactions energy: -206.532
where: short stacking energy: -82.944
Base-Backbone interact. energy: -1.013
local terms energy: -96.416957
where:
bonds (distance) C4'-P energy: -19.979
bonds (distance) P-C4' energy: -23.859
flat angles C4'-P-C4' energy: -21.384
flat angles P-C4'-P energy: -5.750
tors. eta vs tors. theta energy: -25.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -279.140642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.140642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.140642 (E_RNA)
where:
Base-Base interactions energy: -186.428
where: short stacking energy: -75.317
Base-Backbone interact. energy: 1.545
local terms energy: -94.257307
where:
bonds (distance) C4'-P energy: -19.652
bonds (distance) P-C4' energy: -21.119
flat angles C4'-P-C4' energy: -19.869
flat angles P-C4'-P energy: -12.319
tors. eta vs tors. theta energy: -21.299
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: 2
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -314.259666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.259666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.259666 (E_RNA)
where:
Base-Base interactions energy: -220.648
where: short stacking energy: -98.203
Base-Backbone interact. energy: 2.009
local terms energy: -95.621089
where:
bonds (distance) C4'-P energy: -14.295
bonds (distance) P-C4' energy: -19.274
flat angles C4'-P-C4' energy: -20.484
flat angles P-C4'-P energy: -16.749
tors. eta vs tors. theta energy: -24.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -234.183645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.183645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.183645 (E_RNA)
where:
Base-Base interactions energy: -160.249
where: short stacking energy: -65.754
Base-Backbone interact. energy: -0.758
local terms energy: -73.177071
where:
bonds (distance) C4'-P energy: -16.133
bonds (distance) P-C4' energy: -19.300
flat angles C4'-P-C4' energy: -15.293
flat angles P-C4'-P energy: -6.199
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: 6, replica: 5
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -267.239375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.239375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.239375 (E_RNA)
where:
Base-Base interactions energy: -181.783
where: short stacking energy: -67.839
Base-Backbone interact. energy: -1.374
local terms energy: -84.081984
where:
bonds (distance) C4'-P energy: -19.479
bonds (distance) P-C4' energy: -22.388
flat angles C4'-P-C4' energy: -14.510
flat angles P-C4'-P energy: -7.823
tors. eta vs tors. theta energy: -19.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -249.961589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.961589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.961589 (E_RNA)
where:
Base-Base interactions energy: -164.709
where: short stacking energy: -65.830
Base-Backbone interact. energy: 0.341
local terms energy: -85.592896
where:
bonds (distance) C4'-P energy: -17.504
bonds (distance) P-C4' energy: -21.593
flat angles C4'-P-C4' energy: -21.679
flat angles P-C4'-P energy: -10.912
tors. eta vs tors. theta energy: -13.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -100.763603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.763603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.763603 (E_RNA)
where:
Base-Base interactions energy: -38.059
where: short stacking energy: -31.294
Base-Backbone interact. energy: -0.368
local terms energy: -62.336670
where:
bonds (distance) C4'-P energy: -16.123
bonds (distance) P-C4' energy: -22.345
flat angles C4'-P-C4' energy: -16.453
flat angles P-C4'-P energy: -11.240
tors. eta vs tors. theta energy: 3.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -149.923972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.923972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.923972 (E_RNA)
where:
Base-Base interactions energy: -77.960
where: short stacking energy: -46.315
Base-Backbone interact. energy: -0.217
local terms energy: -71.746872
where:
bonds (distance) C4'-P energy: -17.519
bonds (distance) P-C4' energy: -14.615
flat angles C4'-P-C4' energy: -17.951
flat angles P-C4'-P energy: -12.284
tors. eta vs tors. theta energy: -9.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -96.048401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.048401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.048401 (E_RNA)
where:
Base-Base interactions energy: -37.042
where: short stacking energy: -24.202
Base-Backbone interact. energy: -0.405
local terms energy: -58.601311
where:
bonds (distance) C4'-P energy: -17.180
bonds (distance) P-C4' energy: -17.620
flat angles C4'-P-C4' energy: -14.146
flat angles P-C4'-P energy: -9.981
tors. eta vs tors. theta energy: 0.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -319.736367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.736367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.736367 (E_RNA)
where:
Base-Base interactions energy: -227.729
where: short stacking energy: -88.832
Base-Backbone interact. energy: 0.287
local terms energy: -92.294903
where:
bonds (distance) C4'-P energy: -22.095
bonds (distance) P-C4' energy: -19.029
flat angles C4'-P-C4' energy: -18.983
flat angles P-C4'-P energy: -14.061
tors. eta vs tors. theta energy: -18.127
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: 3
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -290.460431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.460431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.460431 (E_RNA)
where:
Base-Base interactions energy: -198.698
where: short stacking energy: -75.878
Base-Backbone interact. energy: -1.073
local terms energy: -90.689486
where:
bonds (distance) C4'-P energy: -16.622
bonds (distance) P-C4' energy: -22.722
flat angles C4'-P-C4' energy: -19.575
flat angles P-C4'-P energy: -11.145
tors. eta vs tors. theta energy: -20.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -312.966623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.966623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.966623 (E_RNA)
where:
Base-Base interactions energy: -215.833
where: short stacking energy: -89.494
Base-Backbone interact. energy: -0.068
local terms energy: -97.066365
where:
bonds (distance) C4'-P energy: -17.379
bonds (distance) P-C4' energy: -19.809
flat angles C4'-P-C4' energy: -20.034
flat angles P-C4'-P energy: -15.785
tors. eta vs tors. theta energy: -24.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -259.336874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.336874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.336874 (E_RNA)
where:
Base-Base interactions energy: -170.593
where: short stacking energy: -57.504
Base-Backbone interact. energy: -0.158
local terms energy: -88.586105
where:
bonds (distance) C4'-P energy: -19.673
bonds (distance) P-C4' energy: -21.493
flat angles C4'-P-C4' energy: -19.076
flat angles P-C4'-P energy: -14.445
tors. eta vs tors. theta energy: -13.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -236.484179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.484179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.484179 (E_RNA)
where:
Base-Base interactions energy: -158.956
where: short stacking energy: -68.506
Base-Backbone interact. energy: 0.121
local terms energy: -77.649219
where:
bonds (distance) C4'-P energy: -15.462
bonds (distance) P-C4' energy: -20.577
flat angles C4'-P-C4' energy: -19.803
flat angles P-C4'-P energy: -6.061
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: 6, replica: 5
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -277.749232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.749232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.749232 (E_RNA)
where:
Base-Base interactions energy: -185.252
where: short stacking energy: -68.696
Base-Backbone interact. energy: -0.054
local terms energy: -92.443165
where:
bonds (distance) C4'-P energy: -11.442
bonds (distance) P-C4' energy: -22.212
flat angles C4'-P-C4' energy: -22.513
flat angles P-C4'-P energy: -13.602
tors. eta vs tors. theta energy: -22.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -252.479616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.479616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.479616 (E_RNA)
where:
Base-Base interactions energy: -176.040
where: short stacking energy: -73.605
Base-Backbone interact. energy: -1.132
local terms energy: -75.307079
where:
bonds (distance) C4'-P energy: -12.305
bonds (distance) P-C4' energy: -18.577
flat angles C4'-P-C4' energy: -15.880
flat angles P-C4'-P energy: -11.216
tors. eta vs tors. theta energy: -17.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -111.279418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.279418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.279418 (E_RNA)
where:
Base-Base interactions energy: -41.095
where: short stacking energy: -40.875
Base-Backbone interact. energy: 0.009
local terms energy: -70.193820
where:
bonds (distance) C4'-P energy: -19.111
bonds (distance) P-C4' energy: -22.205
flat angles C4'-P-C4' energy: -13.590
flat angles P-C4'-P energy: -9.913
tors. eta vs tors. theta energy: -5.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -104.799315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.799315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.799315 (E_RNA)
where:
Base-Base interactions energy: -45.463
where: short stacking energy: -31.171
Base-Backbone interact. energy: -0.329
local terms energy: -59.007221
where:
bonds (distance) C4'-P energy: -15.578
bonds (distance) P-C4' energy: -18.840
flat angles C4'-P-C4' energy: -12.641
flat angles P-C4'-P energy: -12.933
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: 9
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -101.561394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.561394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.561394 (E_RNA)
where:
Base-Base interactions energy: -43.137
where: short stacking energy: -28.439
Base-Backbone interact. energy: -0.167
local terms energy: -58.257582
where:
bonds (distance) C4'-P energy: -18.695
bonds (distance) P-C4' energy: -20.952
flat angles C4'-P-C4' energy: -14.634
flat angles P-C4'-P energy: -3.255
tors. eta vs tors. theta energy: -0.721
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: 7
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -328.800593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.800593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.800593 (E_RNA)
where:
Base-Base interactions energy: -225.369
where: short stacking energy: -88.061
Base-Backbone interact. energy: -0.701
local terms energy: -102.730903
where:
bonds (distance) C4'-P energy: -18.129
bonds (distance) P-C4' energy: -22.319
flat angles C4'-P-C4' energy: -24.948
flat angles P-C4'-P energy: -15.482
tors. eta vs tors. theta energy: -21.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -324.362092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.362092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.362092 (E_RNA)
where:
Base-Base interactions energy: -221.102
where: short stacking energy: -93.771
Base-Backbone interact. energy: -0.124
local terms energy: -103.136423
where:
bonds (distance) C4'-P energy: -22.580
bonds (distance) P-C4' energy: -21.368
flat angles C4'-P-C4' energy: -22.010
flat angles P-C4'-P energy: -11.691
tors. eta vs tors. theta energy: -25.487
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: 3
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -290.899636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.899636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.899636 (E_RNA)
where:
Base-Base interactions energy: -203.802
where: short stacking energy: -82.328
Base-Backbone interact. energy: -0.822
local terms energy: -86.276096
where:
bonds (distance) C4'-P energy: -23.362
bonds (distance) P-C4' energy: -14.240
flat angles C4'-P-C4' energy: -13.186
flat angles P-C4'-P energy: -14.023
tors. eta vs tors. theta energy: -21.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -244.461671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.461671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.461671 (E_RNA)
where:
Base-Base interactions energy: -161.859
where: short stacking energy: -67.214
Base-Backbone interact. energy: -0.375
local terms energy: -82.227729
where:
bonds (distance) C4'-P energy: -14.713
bonds (distance) P-C4' energy: -23.051
flat angles C4'-P-C4' energy: -16.384
flat angles P-C4'-P energy: -12.169
tors. eta vs tors. theta energy: -15.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -257.883647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.883647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.883647 (E_RNA)
where:
Base-Base interactions energy: -165.271
where: short stacking energy: -80.823
Base-Backbone interact. energy: -0.278
local terms energy: -92.335593
where:
bonds (distance) C4'-P energy: -19.765
bonds (distance) P-C4' energy: -20.369
flat angles C4'-P-C4' energy: -16.396
flat angles P-C4'-P energy: -9.168
tors. eta vs tors. theta energy: -26.638
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: 6, replica: 10
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -237.448236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.448236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.448236 (E_RNA)
where:
Base-Base interactions energy: -159.839
where: short stacking energy: -70.863
Base-Backbone interact. energy: -0.134
local terms energy: -77.475048
where:
bonds (distance) C4'-P energy: -13.460
bonds (distance) P-C4' energy: -21.085
flat angles C4'-P-C4' energy: -14.824
flat angles P-C4'-P energy: -13.812
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: 7, replica: 5
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -261.378687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.378687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.378687 (E_RNA)
where:
Base-Base interactions energy: -185.836
where: short stacking energy: -74.596
Base-Backbone interact. energy: -0.167
local terms energy: -75.375491
where:
bonds (distance) C4'-P energy: -12.327
bonds (distance) P-C4' energy: -18.294
flat angles C4'-P-C4' energy: -20.635
flat angles P-C4'-P energy: -5.192
tors. eta vs tors. theta energy: -18.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -119.634659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.634659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.634659 (E_RNA)
where:
Base-Base interactions energy: -45.986
where: short stacking energy: -42.939
Base-Backbone interact. energy: -0.065
local terms energy: -73.583214
where:
bonds (distance) C4'-P energy: -17.438
bonds (distance) P-C4' energy: -20.853
flat angles C4'-P-C4' energy: -20.391
flat angles P-C4'-P energy: -7.827
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: 9, replica: 1
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -114.959676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.959676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.959676 (E_RNA)
where:
Base-Base interactions energy: -44.755
where: short stacking energy: -38.843
Base-Backbone interact. energy: -0.450
local terms energy: -69.755246
where:
bonds (distance) C4'-P energy: -19.122
bonds (distance) P-C4' energy: -22.119
flat angles C4'-P-C4' energy: -17.649
flat angles P-C4'-P energy: -10.531
tors. eta vs tors. theta energy: -0.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -97.694921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.694921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.694921 (E_RNA)
where:
Base-Base interactions energy: -34.630
where: short stacking energy: -34.630
Base-Backbone interact. energy: -0.240
local terms energy: -62.824647
where:
bonds (distance) C4'-P energy: -19.011
bonds (distance) P-C4' energy: -18.249
flat angles C4'-P-C4' energy: -15.404
flat angles P-C4'-P energy: -6.566
tors. eta vs tors. theta energy: -3.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -328.266328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.266328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.266328 (E_RNA)
where:
Base-Base interactions energy: -212.087
where: short stacking energy: -90.099
Base-Backbone interact. energy: -0.863
local terms energy: -115.315903
where:
bonds (distance) C4'-P energy: -20.159
bonds (distance) P-C4' energy: -23.305
flat angles C4'-P-C4' energy: -24.457
flat angles P-C4'-P energy: -17.221
tors. eta vs tors. theta energy: -30.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -328.172350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.172350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.172350 (E_RNA)
where:
Base-Base interactions energy: -230.718
where: short stacking energy: -93.857
Base-Backbone interact. energy: -1.073
local terms energy: -96.381521
where:
bonds (distance) C4'-P energy: -17.452
bonds (distance) P-C4' energy: -20.024
flat angles C4'-P-C4' energy: -19.812
flat angles P-C4'-P energy: -12.430
tors. eta vs tors. theta energy: -26.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -288.391928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.391928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.391928 (E_RNA)
where:
Base-Base interactions energy: -197.916
where: short stacking energy: -76.326
Base-Backbone interact. energy: -0.825
local terms energy: -89.651623
where:
bonds (distance) C4'-P energy: -18.908
bonds (distance) P-C4' energy: -22.087
flat angles C4'-P-C4' energy: -19.142
flat angles P-C4'-P energy: -12.925
tors. eta vs tors. theta energy: -16.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -254.998635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.998635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.998635 (E_RNA)
where:
Base-Base interactions energy: -163.375
where: short stacking energy: -72.769
Base-Backbone interact. energy: -0.303
local terms energy: -91.320089
where:
bonds (distance) C4'-P energy: -20.274
bonds (distance) P-C4' energy: -21.761
flat angles C4'-P-C4' energy: -19.031
flat angles P-C4'-P energy: -12.922
tors. eta vs tors. theta energy: -17.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -260.026888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.026888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.026888 (E_RNA)
where:
Base-Base interactions energy: -171.604
where: short stacking energy: -70.051
Base-Backbone interact. energy: -0.349
local terms energy: -88.073915
where:
bonds (distance) C4'-P energy: -23.084
bonds (distance) P-C4' energy: -13.451
flat angles C4'-P-C4' energy: -18.122
flat angles P-C4'-P energy: -15.849
tors. eta vs tors. theta energy: -17.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -249.941472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.941472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.941472 (E_RNA)
where:
Base-Base interactions energy: -170.061
where: short stacking energy: -67.674
Base-Backbone interact. energy: 0.601
local terms energy: -80.481544
where:
bonds (distance) C4'-P energy: -21.615
bonds (distance) P-C4' energy: -17.999
flat angles C4'-P-C4' energy: -16.003
flat angles P-C4'-P energy: -10.396
tors. eta vs tors. theta energy: -14.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -269.973754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.973754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.973754 (E_RNA)
where:
Base-Base interactions energy: -180.787
where: short stacking energy: -70.285
Base-Backbone interact. energy: -0.019
local terms energy: -89.167963
where:
bonds (distance) C4'-P energy: -19.331
bonds (distance) P-C4' energy: -18.316
flat angles C4'-P-C4' energy: -19.246
flat angles P-C4'-P energy: -9.106
tors. eta vs tors. theta energy: -23.169
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: 6
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -112.078582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.078582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.078582 (E_RNA)
where:
Base-Base interactions energy: -38.301
where: short stacking energy: -38.301
Base-Backbone interact. energy: -0.121
local terms energy: -73.656092
where:
bonds (distance) C4'-P energy: -16.486
bonds (distance) P-C4' energy: -20.266
flat angles C4'-P-C4' energy: -13.570
flat angles P-C4'-P energy: -15.821
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: 128
Temperature: 1.300000
Total energy: -125.041778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.041778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.041778 (E_RNA)
where:
Base-Base interactions energy: -64.484
where: short stacking energy: -38.913
Base-Backbone interact. energy: -0.084
local terms energy: -60.473865
where:
bonds (distance) C4'-P energy: -16.743
bonds (distance) P-C4' energy: -20.782
flat angles C4'-P-C4' energy: -14.035
flat angles P-C4'-P energy: -7.094
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: 1
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -119.718851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.718851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.718851 (E_RNA)
where:
Base-Base interactions energy: -55.660
where: short stacking energy: -42.096
Base-Backbone interact. energy: -0.243
local terms energy: -63.816030
where:
bonds (distance) C4'-P energy: -13.865
bonds (distance) P-C4' energy: -23.095
flat angles C4'-P-C4' energy: -10.094
flat angles P-C4'-P energy: -11.634
tors. eta vs tors. theta energy: -5.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -332.402686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.402686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.402686 (E_RNA)
where:
Base-Base interactions energy: -224.897
where: short stacking energy: -97.221
Base-Backbone interact. energy: -0.979
local terms energy: -106.526103
where:
bonds (distance) C4'-P energy: -19.442
bonds (distance) P-C4' energy: -15.645
flat angles C4'-P-C4' energy: -23.946
flat angles P-C4'-P energy: -18.454
tors. eta vs tors. theta energy: -29.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -329.170918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.170918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.170918 (E_RNA)
where:
Base-Base interactions energy: -226.308
where: short stacking energy: -84.667
Base-Backbone interact. energy: 0.766
local terms energy: -103.628519
where:
bonds (distance) C4'-P energy: -23.783
bonds (distance) P-C4' energy: -17.356
flat angles C4'-P-C4' energy: -20.763
flat angles P-C4'-P energy: -16.886
tors. eta vs tors. theta energy: -24.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -299.749725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.749725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.749725 (E_RNA)
where:
Base-Base interactions energy: -209.071
where: short stacking energy: -87.503
Base-Backbone interact. energy: -0.115
local terms energy: -90.564137
where:
bonds (distance) C4'-P energy: -18.696
bonds (distance) P-C4' energy: -23.267
flat angles C4'-P-C4' energy: -16.611
flat angles P-C4'-P energy: -10.474
tors. eta vs tors. theta energy: -21.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -288.982251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.982251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.982251 (E_RNA)
where:
Base-Base interactions energy: -194.348
where: short stacking energy: -81.154
Base-Backbone interact. energy: -0.078
local terms energy: -94.556629
where:
bonds (distance) C4'-P energy: -17.314
bonds (distance) P-C4' energy: -19.931
flat angles C4'-P-C4' energy: -18.670
flat angles P-C4'-P energy: -13.767
tors. eta vs tors. theta energy: -24.874
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: 129
Temperature: 1.100000
Total energy: -251.180224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.180224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.180224 (E_RNA)
where:
Base-Base interactions energy: -163.043
where: short stacking energy: -76.415
Base-Backbone interact. energy: 0.042
local terms energy: -88.179243
where:
bonds (distance) C4'-P energy: -16.997
bonds (distance) P-C4' energy: -24.653
flat angles C4'-P-C4' energy: -14.544
flat angles P-C4'-P energy: -7.121
tors. eta vs tors. theta energy: -24.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -245.553568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.553568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.553568 (E_RNA)
where:
Base-Base interactions energy: -175.362
where: short stacking energy: -60.995
Base-Backbone interact. energy: -0.208
local terms energy: -69.983083
where:
bonds (distance) C4'-P energy: -8.175
bonds (distance) P-C4' energy: -19.452
flat angles C4'-P-C4' energy: -16.510
flat angles P-C4'-P energy: -10.020
tors. eta vs tors. theta energy: -15.826
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: 7, replica: 5
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -244.497111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.497111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.497111 (E_RNA)
where:
Base-Base interactions energy: -164.757
where: short stacking energy: -74.069
Base-Backbone interact. energy: -0.115
local terms energy: -79.625318
where:
bonds (distance) C4'-P energy: -23.110
bonds (distance) P-C4' energy: -15.700
flat angles C4'-P-C4' energy: -16.117
flat angles P-C4'-P energy: -8.815
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: 8, replica: 9
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -133.251641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.251641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.251641 (E_RNA)
where:
Base-Base interactions energy: -70.256
where: short stacking energy: -45.089
Base-Backbone interact. energy: -0.244
local terms energy: -62.751699
where:
bonds (distance) C4'-P energy: -15.430
bonds (distance) P-C4' energy: -19.598
flat angles C4'-P-C4' energy: -20.009
flat angles P-C4'-P energy: -5.397
tors. eta vs tors. theta energy: -2.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -101.467574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.467574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.467574 (E_RNA)
where:
Base-Base interactions energy: -48.445
where: short stacking energy: -43.422
Base-Backbone interact. energy: -0.117
local terms energy: -52.905064
where:
bonds (distance) C4'-P energy: -8.346
bonds (distance) P-C4' energy: -15.652
flat angles C4'-P-C4' energy: -13.341
flat angles P-C4'-P energy: -9.772
tors. eta vs tors. theta energy: -5.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -127.584584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.584584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.584584 (E_RNA)
where:
Base-Base interactions energy: -64.864
where: short stacking energy: -34.290
Base-Backbone interact. energy: -0.302
local terms energy: -62.419244
where:
bonds (distance) C4'-P energy: -12.482
bonds (distance) P-C4' energy: -14.626
flat angles C4'-P-C4' energy: -17.912
flat angles P-C4'-P energy: -12.119
tors. eta vs tors. theta energy: -5.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -331.657333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.657333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.657333 (E_RNA)
where:
Base-Base interactions energy: -219.762
where: short stacking energy: -101.445
Base-Backbone interact. energy: -0.084
local terms energy: -111.811810
where:
bonds (distance) C4'-P energy: -23.081
bonds (distance) P-C4' energy: -23.853
flat angles C4'-P-C4' energy: -20.436
flat angles P-C4'-P energy: -15.090
tors. eta vs tors. theta energy: -29.351
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: 2, replica: 7
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -330.738640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.738640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.738640 (E_RNA)
where:
Base-Base interactions energy: -228.494
where: short stacking energy: -92.512
Base-Backbone interact. energy: 1.412
local terms energy: -103.656827
where:
bonds (distance) C4'-P energy: -22.688
bonds (distance) P-C4' energy: -22.807
flat angles C4'-P-C4' energy: -18.552
flat angles P-C4'-P energy: -14.121
tors. eta vs tors. theta energy: -25.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -289.980994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.980994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.980994 (E_RNA)
where:
Base-Base interactions energy: -187.600
where: short stacking energy: -81.412
Base-Backbone interact. energy: -0.600
local terms energy: -101.780798
where:
bonds (distance) C4'-P energy: -21.544
bonds (distance) P-C4' energy: -21.185
flat angles C4'-P-C4' energy: -18.165
flat angles P-C4'-P energy: -16.723
tors. eta vs tors. theta energy: -24.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -294.455886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.455886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.455886 (E_RNA)
where:
Base-Base interactions energy: -201.867
where: short stacking energy: -84.251
Base-Backbone interact. energy: -0.339
local terms energy: -92.249756
where:
bonds (distance) C4'-P energy: -19.106
bonds (distance) P-C4' energy: -19.281
flat angles C4'-P-C4' energy: -24.407
flat angles P-C4'-P energy: -8.551
tors. eta vs tors. theta energy: -20.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -272.099605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.099605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.099605 (E_RNA)
where:
Base-Base interactions energy: -174.564
where: short stacking energy: -81.945
Base-Backbone interact. energy: -0.259
local terms energy: -97.276997
where:
bonds (distance) C4'-P energy: -22.307
bonds (distance) P-C4' energy: -22.198
flat angles C4'-P-C4' energy: -21.217
flat angles P-C4'-P energy: -8.305
tors. eta vs tors. theta energy: -23.250
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: 8
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -244.289841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.289841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.289841 (E_RNA)
where:
Base-Base interactions energy: -165.931
where: short stacking energy: -64.433
Base-Backbone interact. energy: -1.537
local terms energy: -76.821036
where:
bonds (distance) C4'-P energy: -16.640
bonds (distance) P-C4' energy: -19.037
flat angles C4'-P-C4' energy: -17.452
flat angles P-C4'-P energy: -10.867
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: 7, replica: 5
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -269.346668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.346668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.346668 (E_RNA)
where:
Base-Base interactions energy: -190.424
where: short stacking energy: -77.244
Base-Backbone interact. energy: -0.209
local terms energy: -78.714046
where:
bonds (distance) C4'-P energy: -14.562
bonds (distance) P-C4' energy: -18.126
flat angles C4'-P-C4' energy: -20.902
flat angles P-C4'-P energy: -4.162
tors. eta vs tors. theta energy: -20.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -116.966235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.966235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.966235 (E_RNA)
where:
Base-Base interactions energy: -47.077
where: short stacking energy: -41.877
Base-Backbone interact. energy: -0.099
local terms energy: -69.789718
where:
bonds (distance) C4'-P energy: -20.604
bonds (distance) P-C4' energy: -15.513
flat angles C4'-P-C4' energy: -18.117
flat angles P-C4'-P energy: -7.743
tors. eta vs tors. theta energy: -7.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -150.600455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.600455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.600455 (E_RNA)
where:
Base-Base interactions energy: -82.170
where: short stacking energy: -43.556
Base-Backbone interact. energy: -0.750
local terms energy: -67.680758
where:
bonds (distance) C4'-P energy: -17.123
bonds (distance) P-C4' energy: -16.202
flat angles C4'-P-C4' energy: -20.660
flat angles P-C4'-P energy: -8.081
tors. eta vs tors. theta energy: -5.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -100.722830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.722830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.722830 (E_RNA)
where:
Base-Base interactions energy: -42.353
where: short stacking energy: -26.260
Base-Backbone interact. energy: -0.311
local terms energy: -58.058613
where:
bonds (distance) C4'-P energy: -17.221
bonds (distance) P-C4' energy: -10.861
flat angles C4'-P-C4' energy: -17.668
flat angles P-C4'-P energy: -8.119
tors. eta vs tors. theta energy: -4.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -331.384527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.384527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.384527 (E_RNA)
where:
Base-Base interactions energy: -225.408
where: short stacking energy: -101.103
Base-Backbone interact. energy: 1.480
local terms energy: -107.457034
where:
bonds (distance) C4'-P energy: -18.908
bonds (distance) P-C4' energy: -20.056
flat angles C4'-P-C4' energy: -23.824
flat angles P-C4'-P energy: -15.538
tors. eta vs tors. theta energy: -29.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -288.379454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.379454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.379454 (E_RNA)
where:
Base-Base interactions energy: -208.569
where: short stacking energy: -85.762
Base-Backbone interact. energy: -0.408
local terms energy: -79.403439
where:
bonds (distance) C4'-P energy: -16.672
bonds (distance) P-C4' energy: -23.060
flat angles C4'-P-C4' energy: -13.971
flat angles P-C4'-P energy: -6.749
tors. eta vs tors. theta energy: -18.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -324.730275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.730275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.730275 (E_RNA)
where:
Base-Base interactions energy: -224.644
where: short stacking energy: -96.154
Base-Backbone interact. energy: -0.099
local terms energy: -99.986590
where:
bonds (distance) C4'-P energy: -21.384
bonds (distance) P-C4' energy: -18.820
flat angles C4'-P-C4' energy: -22.006
flat angles P-C4'-P energy: -15.270
tors. eta vs tors. theta energy: -22.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -281.686492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.686492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.686492 (E_RNA)
where:
Base-Base interactions energy: -193.802
where: short stacking energy: -78.135
Base-Backbone interact. energy: 0.088
local terms energy: -87.972484
where:
bonds (distance) C4'-P energy: -15.667
bonds (distance) P-C4' energy: -20.831
flat angles C4'-P-C4' energy: -22.943
flat angles P-C4'-P energy: -11.158
tors. eta vs tors. theta energy: -17.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -268.376566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.376566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.376566 (E_RNA)
where:
Base-Base interactions energy: -177.317
where: short stacking energy: -81.973
Base-Backbone interact. energy: -0.195
local terms energy: -90.864674
where:
bonds (distance) C4'-P energy: -17.616
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -23.439
flat angles P-C4'-P energy: -10.571
tors. eta vs tors. theta energy: -23.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -271.901950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.901950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.901950 (E_RNA)
where:
Base-Base interactions energy: -197.403
where: short stacking energy: -77.631
Base-Backbone interact. energy: -0.065
local terms energy: -74.434642
where:
bonds (distance) C4'-P energy: -12.201
bonds (distance) P-C4' energy: -17.103
flat angles C4'-P-C4' energy: -20.848
flat angles P-C4'-P energy: -5.583
tors. eta vs tors. theta energy: -18.699
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: 8
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -265.564625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.564625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.564625 (E_RNA)
where:
Base-Base interactions energy: -178.379
where: short stacking energy: -75.585
Base-Backbone interact. energy: -1.125
local terms energy: -86.060812
where:
bonds (distance) C4'-P energy: -17.939
bonds (distance) P-C4' energy: -13.367
flat angles C4'-P-C4' energy: -20.122
flat angles P-C4'-P energy: -14.888
tors. eta vs tors. theta energy: -19.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -154.288375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.288375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.288375 (E_RNA)
where:
Base-Base interactions energy: -88.295
where: short stacking energy: -45.938
Base-Backbone interact. energy: -0.048
local terms energy: -65.945314
where:
bonds (distance) C4'-P energy: -17.989
bonds (distance) P-C4' energy: -18.746
flat angles C4'-P-C4' energy: -10.603
flat angles P-C4'-P energy: -9.195
tors. eta vs tors. theta energy: -9.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -114.998158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.998158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.998158 (E_RNA)
where:
Base-Base interactions energy: -47.021
where: short stacking energy: -32.504
Base-Backbone interact. energy: 0.769
local terms energy: -68.746017
where:
bonds (distance) C4'-P energy: -19.767
bonds (distance) P-C4' energy: -18.871
flat angles C4'-P-C4' energy: -12.844
flat angles P-C4'-P energy: -11.768
tors. eta vs tors. theta energy: -5.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -103.388465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.388465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.388465 (E_RNA)
where:
Base-Base interactions energy: -46.423
where: short stacking energy: -43.425
Base-Backbone interact. energy: 1.115
local terms energy: -58.079927
where:
bonds (distance) C4'-P energy: -17.459
bonds (distance) P-C4' energy: -15.700
flat angles C4'-P-C4' energy: -12.871
flat angles P-C4'-P energy: -5.633
tors. eta vs tors. theta energy: -6.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -322.924449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.924449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.924449 (E_RNA)
where:
Base-Base interactions energy: -225.923
where: short stacking energy: -101.334
Base-Backbone interact. energy: -0.149
local terms energy: -96.852339
where:
bonds (distance) C4'-P energy: -14.056
bonds (distance) P-C4' energy: -17.758
flat angles C4'-P-C4' energy: -19.941
flat angles P-C4'-P energy: -15.399
tors. eta vs tors. theta energy: -29.698
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: 2, replica: 10
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -300.609527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.609527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.609527 (E_RNA)
where:
Base-Base interactions energy: -211.250
where: short stacking energy: -80.083
Base-Backbone interact. energy: -0.625
local terms energy: -88.735319
where:
bonds (distance) C4'-P energy: -19.253
bonds (distance) P-C4' energy: -19.896
flat angles C4'-P-C4' energy: -22.516
flat angles P-C4'-P energy: -6.820
tors. eta vs tors. theta energy: -20.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -316.258139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.258139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.258139 (E_RNA)
where:
Base-Base interactions energy: -212.729
where: short stacking energy: -86.898
Base-Backbone interact. energy: -0.320
local terms energy: -103.208778
where:
bonds (distance) C4'-P energy: -20.813
bonds (distance) P-C4' energy: -21.362
flat angles C4'-P-C4' energy: -20.756
flat angles P-C4'-P energy: -16.056
tors. eta vs tors. theta energy: -24.222
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: 3
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -264.004174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.004174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.004174 (E_RNA)
where:
Base-Base interactions energy: -182.093
where: short stacking energy: -65.560
Base-Backbone interact. energy: -0.308
local terms energy: -81.603811
where:
bonds (distance) C4'-P energy: -14.150
bonds (distance) P-C4' energy: -19.398
flat angles C4'-P-C4' energy: -21.402
flat angles P-C4'-P energy: -14.086
tors. eta vs tors. theta energy: -12.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -282.878642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.878642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.878642 (E_RNA)
where:
Base-Base interactions energy: -186.367
where: short stacking energy: -81.051
Base-Backbone interact. energy: -0.645
local terms energy: -95.866342
where:
bonds (distance) C4'-P energy: -16.659
bonds (distance) P-C4' energy: -21.200
flat angles C4'-P-C4' energy: -20.309
flat angles P-C4'-P energy: -11.598
tors. eta vs tors. theta energy: -26.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -249.127786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.127786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.127786 (E_RNA)
where:
Base-Base interactions energy: -164.201
where: short stacking energy: -73.980
Base-Backbone interact. energy: -0.101
local terms energy: -84.825649
where:
bonds (distance) C4'-P energy: -18.402
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -15.231
flat angles P-C4'-P energy: -11.932
tors. eta vs tors. theta energy: -22.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -269.197864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.197864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.197864 (E_RNA)
where:
Base-Base interactions energy: -180.207
where: short stacking energy: -76.593
Base-Backbone interact. energy: -0.182
local terms energy: -88.809209
where:
bonds (distance) C4'-P energy: -20.409
bonds (distance) P-C4' energy: -18.226
flat angles C4'-P-C4' energy: -19.437
flat angles P-C4'-P energy: -11.277
tors. eta vs tors. theta energy: -19.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -115.953685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.953685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.953685 (E_RNA)
where:
Base-Base interactions energy: -48.489
where: short stacking energy: -41.027
Base-Backbone interact. energy: 3.551
local terms energy: -71.016113
where:
bonds (distance) C4'-P energy: -14.309
bonds (distance) P-C4' energy: -18.349
flat angles C4'-P-C4' energy: -19.223
flat angles P-C4'-P energy: -15.466
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: 9, replica: 6
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -99.865528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.865528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.865528 (E_RNA)
where:
Base-Base interactions energy: -31.251
where: short stacking energy: -29.516
Base-Backbone interact. energy: 0.315
local terms energy: -68.929640
where:
bonds (distance) C4'-P energy: -17.683
bonds (distance) P-C4' energy: -19.947
flat angles C4'-P-C4' energy: -18.695
flat angles P-C4'-P energy: -11.691
tors. eta vs tors. theta energy: -0.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -120.288809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.288809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.288809 (E_RNA)
where:
Base-Base interactions energy: -63.465
where: short stacking energy: -37.965
Base-Backbone interact. energy: 0.851
local terms energy: -57.674834
where:
bonds (distance) C4'-P energy: -16.513
bonds (distance) P-C4' energy: -17.825
flat angles C4'-P-C4' energy: -14.946
flat angles P-C4'-P energy: -8.908
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: 1, replica: 2
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -333.807496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.807496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.807496 (E_RNA)
where:
Base-Base interactions energy: -228.065
where: short stacking energy: -103.599
Base-Backbone interact. energy: -0.236
local terms energy: -105.506385
where:
bonds (distance) C4'-P energy: -19.250
bonds (distance) P-C4' energy: -19.967
flat angles C4'-P-C4' energy: -22.484
flat angles P-C4'-P energy: -14.064
tors. eta vs tors. theta energy: -29.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -326.482976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.482976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.482976 (E_RNA)
where:
Base-Base interactions energy: -220.487
where: short stacking energy: -90.724
Base-Backbone interact. energy: -0.101
local terms energy: -105.894857
where:
bonds (distance) C4'-P energy: -23.870
bonds (distance) P-C4' energy: -19.874
flat angles C4'-P-C4' energy: -22.491
flat angles P-C4'-P energy: -18.103
tors. eta vs tors. theta energy: -21.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -297.612244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.612244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.612244 (E_RNA)
where:
Base-Base interactions energy: -214.704
where: short stacking energy: -74.502
Base-Backbone interact. energy: -1.137
local terms energy: -81.771398
where:
bonds (distance) C4'-P energy: -18.532
bonds (distance) P-C4' energy: -17.889
flat angles C4'-P-C4' energy: -17.928
flat angles P-C4'-P energy: -6.621
tors. eta vs tors. theta energy: -20.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -288.097940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.097940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.097940 (E_RNA)
where:
Base-Base interactions energy: -198.126
where: short stacking energy: -71.811
Base-Backbone interact. energy: -0.430
local terms energy: -89.542062
where:
bonds (distance) C4'-P energy: -22.131
bonds (distance) P-C4' energy: -23.356
flat angles C4'-P-C4' energy: -18.990
flat angles P-C4'-P energy: -7.611
tors. eta vs tors. theta energy: -17.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -277.802460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.802460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.802460 (E_RNA)
where:
Base-Base interactions energy: -184.009
where: short stacking energy: -76.117
Base-Backbone interact. energy: -0.328
local terms energy: -93.465312
where:
bonds (distance) C4'-P energy: -19.083
bonds (distance) P-C4' energy: -19.451
flat angles C4'-P-C4' energy: -21.005
flat angles P-C4'-P energy: -11.530
tors. eta vs tors. theta energy: -22.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -237.149457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.149457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.149457 (E_RNA)
where:
Base-Base interactions energy: -165.631
where: short stacking energy: -64.491
Base-Backbone interact. energy: -0.021
local terms energy: -71.497377
where:
bonds (distance) C4'-P energy: -10.278
bonds (distance) P-C4' energy: -16.865
flat angles C4'-P-C4' energy: -18.052
flat angles P-C4'-P energy: -14.422
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: 7, replica: 4
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -225.955263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.955263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.955263 (E_RNA)
where:
Base-Base interactions energy: -149.480
where: short stacking energy: -64.841
Base-Backbone interact. energy: -0.241
local terms energy: -76.233963
where:
bonds (distance) C4'-P energy: -20.828
bonds (distance) P-C4' energy: -18.031
flat angles C4'-P-C4' energy: -14.247
flat angles P-C4'-P energy: -5.204
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: 8, replica: 6
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -107.265630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.265630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.265630 (E_RNA)
where:
Base-Base interactions energy: -34.613
where: short stacking energy: -34.613
Base-Backbone interact. energy: -0.196
local terms energy: -72.455777
where:
bonds (distance) C4'-P energy: -20.430
bonds (distance) P-C4' energy: -18.243
flat angles C4'-P-C4' energy: -19.163
flat angles P-C4'-P energy: -12.639
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: 9, replica: 1
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -97.941944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.941944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.941944 (E_RNA)
where:
Base-Base interactions energy: -46.026
where: short stacking energy: -25.950
Base-Backbone interact. energy: 0.186
local terms energy: -52.101748
where:
bonds (distance) C4'-P energy: -16.515
bonds (distance) P-C4' energy: -12.249
flat angles C4'-P-C4' energy: -21.058
flat angles P-C4'-P energy: -5.078
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: 9
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -106.411654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.411654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.411654 (E_RNA)
where:
Base-Base interactions energy: -36.636
where: short stacking energy: -36.566
Base-Backbone interact. energy: -0.288
local terms energy: -69.487019
where:
bonds (distance) C4'-P energy: -13.691
bonds (distance) P-C4' energy: -20.539
flat angles C4'-P-C4' energy: -19.719
flat angles P-C4'-P energy: -11.160
tors. eta vs tors. theta energy: -4.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -331.684827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.684827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.684827 (E_RNA)
where:
Base-Base interactions energy: -229.239
where: short stacking energy: -95.839
Base-Backbone interact. energy: -0.145
local terms energy: -102.300385
where:
bonds (distance) C4'-P energy: -23.445
bonds (distance) P-C4' energy: -22.824
flat angles C4'-P-C4' energy: -22.695
flat angles P-C4'-P energy: -8.581
tors. eta vs tors. theta energy: -24.756
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: 134
Temperature: 0.950000
Total energy: -329.347703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.347703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.347703 (E_RNA)
where:
Base-Base interactions energy: -231.288
where: short stacking energy: -103.931
Base-Backbone interact. energy: -0.146
local terms energy: -97.913610
where:
bonds (distance) C4'-P energy: -15.280
bonds (distance) P-C4' energy: -19.598
flat angles C4'-P-C4' energy: -20.955
flat angles P-C4'-P energy: -12.818
tors. eta vs tors. theta energy: -29.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -299.456573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.456573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.456573 (E_RNA)
where:
Base-Base interactions energy: -197.062
where: short stacking energy: -87.816
Base-Backbone interact. energy: -0.454
local terms energy: -101.940778
where:
bonds (distance) C4'-P energy: -20.447
bonds (distance) P-C4' energy: -23.094
flat angles C4'-P-C4' energy: -15.552
flat angles P-C4'-P energy: -11.474
tors. eta vs tors. theta energy: -31.373
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: 134
Temperature: 1.050000
Total energy: -288.663916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.663916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.663916 (E_RNA)
where:
Base-Base interactions energy: -209.078
where: short stacking energy: -81.257
Base-Backbone interact. energy: -0.131
local terms energy: -79.454730
where:
bonds (distance) C4'-P energy: -17.795
bonds (distance) P-C4' energy: -17.540
flat angles C4'-P-C4' energy: -12.584
flat angles P-C4'-P energy: -7.106
tors. eta vs tors. theta energy: -24.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -280.241719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.241719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.241719 (E_RNA)
where:
Base-Base interactions energy: -190.485
where: short stacking energy: -75.417
Base-Backbone interact. energy: -0.019
local terms energy: -89.737532
where:
bonds (distance) C4'-P energy: -15.389
bonds (distance) P-C4' energy: -22.485
flat angles C4'-P-C4' energy: -18.220
flat angles P-C4'-P energy: -14.053
tors. eta vs tors. theta energy: -19.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -259.139581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.139581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.139581 (E_RNA)
where:
Base-Base interactions energy: -184.358
where: short stacking energy: -66.990
Base-Backbone interact. energy: -0.205
local terms energy: -74.576547
where:
bonds (distance) C4'-P energy: -18.943
bonds (distance) P-C4' energy: -20.237
flat angles C4'-P-C4' energy: -16.645
flat angles P-C4'-P energy: -6.530
tors. eta vs tors. theta energy: -12.221
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: 4
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -239.826596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.826596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.826596 (E_RNA)
where:
Base-Base interactions energy: -153.440
where: short stacking energy: -66.216
Base-Backbone interact. energy: -0.255
local terms energy: -86.131158
where:
bonds (distance) C4'-P energy: -20.453
bonds (distance) P-C4' energy: -18.186
flat angles C4'-P-C4' energy: -19.021
flat angles P-C4'-P energy: -11.634
tors. eta vs tors. theta energy: -16.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -124.978149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.978149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.978149 (E_RNA)
where:
Base-Base interactions energy: -52.321
where: short stacking energy: -38.915
Base-Backbone interact. energy: -0.833
local terms energy: -71.823905
where:
bonds (distance) C4'-P energy: -17.865
bonds (distance) P-C4' energy: -19.754
flat angles C4'-P-C4' energy: -14.237
flat angles P-C4'-P energy: -14.759
tors. eta vs tors. theta energy: -5.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -104.374798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.374798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.374798 (E_RNA)
where:
Base-Base interactions energy: -42.962
where: short stacking energy: -39.010
Base-Backbone interact. energy: -0.315
local terms energy: -61.097374
where:
bonds (distance) C4'-P energy: -13.835
bonds (distance) P-C4' energy: -20.322
flat angles C4'-P-C4' energy: -15.293
flat angles P-C4'-P energy: -12.223
tors. eta vs tors. theta energy: 0.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -101.132272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.132272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.132272 (E_RNA)
where:
Base-Base interactions energy: -36.938
where: short stacking energy: -36.938
Base-Backbone interact. energy: -0.305
local terms energy: -63.889447
where:
bonds (distance) C4'-P energy: -21.615
bonds (distance) P-C4' energy: -21.307
flat angles C4'-P-C4' energy: -14.667
flat angles P-C4'-P energy: -6.599
tors. eta vs tors. theta energy: 0.300
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: 7
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -333.415327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.415327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.415327 (E_RNA)
where:
Base-Base interactions energy: -222.712
where: short stacking energy: -96.743
Base-Backbone interact. energy: 0.625
local terms energy: -111.328716
where:
bonds (distance) C4'-P energy: -20.149
bonds (distance) P-C4' energy: -24.622
flat angles C4'-P-C4' energy: -23.673
flat angles P-C4'-P energy: -16.597
tors. eta vs tors. theta energy: -26.288
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: 2
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -326.848824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.848824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.848824 (E_RNA)
where:
Base-Base interactions energy: -227.212
where: short stacking energy: -100.269
Base-Backbone interact. energy: -0.108
local terms energy: -99.528783
where:
bonds (distance) C4'-P energy: -17.413
bonds (distance) P-C4' energy: -17.458
flat angles C4'-P-C4' energy: -21.180
flat angles P-C4'-P energy: -12.956
tors. eta vs tors. theta energy: -30.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -303.695921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.695921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.695921 (E_RNA)
where:
Base-Base interactions energy: -204.368
where: short stacking energy: -85.295
Base-Backbone interact. energy: -0.258
local terms energy: -99.070053
where:
bonds (distance) C4'-P energy: -19.226
bonds (distance) P-C4' energy: -18.196
flat angles C4'-P-C4' energy: -23.626
flat angles P-C4'-P energy: -10.431
tors. eta vs tors. theta energy: -27.591
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: 5
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -286.530495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.530495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.530495 (E_RNA)
where:
Base-Base interactions energy: -198.878
where: short stacking energy: -78.540
Base-Backbone interact. energy: -0.796
local terms energy: -86.856097
where:
bonds (distance) C4'-P energy: -15.997
bonds (distance) P-C4' energy: -22.397
flat angles C4'-P-C4' energy: -21.329
flat angles P-C4'-P energy: -9.112
tors. eta vs tors. theta energy: -18.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -293.641143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.641143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.641143 (E_RNA)
where:
Base-Base interactions energy: -208.643
where: short stacking energy: -78.524
Base-Backbone interact. energy: 0.193
local terms energy: -85.191857
where:
bonds (distance) C4'-P energy: -15.963
bonds (distance) P-C4' energy: -18.239
flat angles C4'-P-C4' energy: -20.029
flat angles P-C4'-P energy: -12.664
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: 6, replica: 8
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -270.075622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.075622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.075622 (E_RNA)
where:
Base-Base interactions energy: -186.295
where: short stacking energy: -64.584
Base-Backbone interact. energy: 0.214
local terms energy: -83.994189
where:
bonds (distance) C4'-P energy: -19.026
bonds (distance) P-C4' energy: -17.767
flat angles C4'-P-C4' energy: -19.019
flat angles P-C4'-P energy: -10.938
tors. eta vs tors. theta energy: -17.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -206.677992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.677992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.677992 (E_RNA)
where:
Base-Base interactions energy: -131.393
where: short stacking energy: -54.432
Base-Backbone interact. energy: -0.857
local terms energy: -74.428557
where:
bonds (distance) C4'-P energy: -19.030
bonds (distance) P-C4' energy: -15.626
flat angles C4'-P-C4' energy: -17.044
flat angles P-C4'-P energy: -6.966
tors. eta vs tors. theta energy: -15.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -121.573733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.573733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.573733 (E_RNA)
where:
Base-Base interactions energy: -54.100
where: short stacking energy: -36.183
Base-Backbone interact. energy: 2.362
local terms energy: -69.835354
where:
bonds (distance) C4'-P energy: -22.758
bonds (distance) P-C4' energy: -21.739
flat angles C4'-P-C4' energy: -13.989
flat angles P-C4'-P energy: -11.146
tors. eta vs tors. theta energy: -0.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -111.955914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.955914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.955914 (E_RNA)
where:
Base-Base interactions energy: -47.284
where: short stacking energy: -45.465
Base-Backbone interact. energy: -0.187
local terms energy: -64.484652
where:
bonds (distance) C4'-P energy: -15.728
bonds (distance) P-C4' energy: -14.278
flat angles C4'-P-C4' energy: -18.277
flat angles P-C4'-P energy: -7.796
tors. eta vs tors. theta energy: -8.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -111.030514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.030514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.030514 (E_RNA)
where:
Base-Base interactions energy: -49.796
where: short stacking energy: -37.042
Base-Backbone interact. energy: -0.362
local terms energy: -60.872610
where:
bonds (distance) C4'-P energy: -16.449
bonds (distance) P-C4' energy: -17.112
flat angles C4'-P-C4' energy: -16.662
flat angles P-C4'-P energy: -10.001
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: 7
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -339.772370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.772370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.772370 (E_RNA)
where:
Base-Base interactions energy: -235.765
where: short stacking energy: -92.160
Base-Backbone interact. energy: -0.184
local terms energy: -103.822842
where:
bonds (distance) C4'-P energy: -20.210
bonds (distance) P-C4' energy: -23.419
flat angles C4'-P-C4' energy: -21.429
flat angles P-C4'-P energy: -13.627
tors. eta vs tors. theta energy: -25.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -326.042727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.042727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.042727 (E_RNA)
where:
Base-Base interactions energy: -227.606
where: short stacking energy: -97.512
Base-Backbone interact. energy: -0.215
local terms energy: -98.221711
where:
bonds (distance) C4'-P energy: -18.799
bonds (distance) P-C4' energy: -20.129
flat angles C4'-P-C4' energy: -19.971
flat angles P-C4'-P energy: -11.587
tors. eta vs tors. theta energy: -27.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -294.755055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.755055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.755055 (E_RNA)
where:
Base-Base interactions energy: -204.079
where: short stacking energy: -84.490
Base-Backbone interact. energy: -0.040
local terms energy: -90.636376
where:
bonds (distance) C4'-P energy: -20.343
bonds (distance) P-C4' energy: -16.662
flat angles C4'-P-C4' energy: -18.766
flat angles P-C4'-P energy: -10.045
tors. eta vs tors. theta energy: -24.820
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: 5
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -276.370469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.370469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.370469 (E_RNA)
where:
Base-Base interactions energy: -189.990
where: short stacking energy: -78.053
Base-Backbone interact. energy: -0.066
local terms energy: -86.314895
where:
bonds (distance) C4'-P energy: -19.325
bonds (distance) P-C4' energy: -15.372
flat angles C4'-P-C4' energy: -19.069
flat angles P-C4'-P energy: -11.666
tors. eta vs tors. theta energy: -20.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -278.368570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.368570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.368570 (E_RNA)
where:
Base-Base interactions energy: -181.010
where: short stacking energy: -73.397
Base-Backbone interact. energy: -0.379
local terms energy: -96.978788
where:
bonds (distance) C4'-P energy: -22.542
bonds (distance) P-C4' energy: -21.868
flat angles C4'-P-C4' energy: -18.273
flat angles P-C4'-P energy: -16.416
tors. eta vs tors. theta energy: -17.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -267.589388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.589388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.589388 (E_RNA)
where:
Base-Base interactions energy: -184.263
where: short stacking energy: -77.269
Base-Backbone interact. energy: 0.794
local terms energy: -84.120764
where:
bonds (distance) C4'-P energy: -20.542
bonds (distance) P-C4' energy: -11.357
flat angles C4'-P-C4' energy: -17.065
flat angles P-C4'-P energy: -13.826
tors. eta vs tors. theta energy: -21.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -196.249257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.249257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.249257 (E_RNA)
where:
Base-Base interactions energy: -114.399
where: short stacking energy: -58.482
Base-Backbone interact. energy: -0.061
local terms energy: -81.788663
where:
bonds (distance) C4'-P energy: -15.806
bonds (distance) P-C4' energy: -16.066
flat angles C4'-P-C4' energy: -21.734
flat angles P-C4'-P energy: -10.667
tors. eta vs tors. theta energy: -17.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -113.646901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.646901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.646901 (E_RNA)
where:
Base-Base interactions energy: -47.035
where: short stacking energy: -31.537
Base-Backbone interact. energy: -0.013
local terms energy: -66.598716
where:
bonds (distance) C4'-P energy: -17.467
bonds (distance) P-C4' energy: -21.345
flat angles C4'-P-C4' energy: -17.670
flat angles P-C4'-P energy: -8.539
tors. eta vs tors. theta energy: -1.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -109.300132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.300132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.300132 (E_RNA)
where:
Base-Base interactions energy: -40.285
where: short stacking energy: -37.891
Base-Backbone interact. energy: 1.455
local terms energy: -70.470009
where:
bonds (distance) C4'-P energy: -13.694
bonds (distance) P-C4' energy: -21.853
flat angles C4'-P-C4' energy: -20.013
flat angles P-C4'-P energy: -13.550
tors. eta vs tors. theta energy: -1.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -97.294209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.294209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.294209 (E_RNA)
where:
Base-Base interactions energy: -33.912
where: short stacking energy: -31.843
Base-Backbone interact. energy: -0.345
local terms energy: -63.037065
where:
bonds (distance) C4'-P energy: -15.026
bonds (distance) P-C4' energy: -17.679
flat angles C4'-P-C4' energy: -9.481
flat angles P-C4'-P energy: -14.345
tors. eta vs tors. theta energy: -6.506
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: 7
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -329.555443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.555443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.555443 (E_RNA)
where:
Base-Base interactions energy: -228.692
where: short stacking energy: -95.678
Base-Backbone interact. energy: 1.380
local terms energy: -102.243791
where:
bonds (distance) C4'-P energy: -22.491
bonds (distance) P-C4' energy: -22.169
flat angles C4'-P-C4' energy: -22.996
flat angles P-C4'-P energy: -13.491
tors. eta vs tors. theta energy: -21.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -322.449840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.449840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.449840 (E_RNA)
where:
Base-Base interactions energy: -217.071
where: short stacking energy: -89.391
Base-Backbone interact. energy: -0.176
local terms energy: -105.202863
where:
bonds (distance) C4'-P energy: -21.408
bonds (distance) P-C4' energy: -23.204
flat angles C4'-P-C4' energy: -19.653
flat angles P-C4'-P energy: -12.784
tors. eta vs tors. theta energy: -28.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -288.931231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.931231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.931231 (E_RNA)
where:
Base-Base interactions energy: -195.519
where: short stacking energy: -79.113
Base-Backbone interact. energy: -0.094
local terms energy: -93.318757
where:
bonds (distance) C4'-P energy: -19.842
bonds (distance) P-C4' energy: -21.064
flat angles C4'-P-C4' energy: -20.783
flat angles P-C4'-P energy: -14.717
tors. eta vs tors. theta energy: -16.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -284.513443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.513443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.513443 (E_RNA)
where:
Base-Base interactions energy: -194.750
where: short stacking energy: -85.165
Base-Backbone interact. energy: 0.116
local terms energy: -89.879083
where:
bonds (distance) C4'-P energy: -19.384
bonds (distance) P-C4' energy: -22.113
flat angles C4'-P-C4' energy: -20.074
flat angles P-C4'-P energy: -10.069
tors. eta vs tors. theta energy: -18.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -279.233365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.233365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.233365 (E_RNA)
where:
Base-Base interactions energy: -187.469
where: short stacking energy: -82.968
Base-Backbone interact. energy: 0.132
local terms energy: -91.896755
where:
bonds (distance) C4'-P energy: -18.344
bonds (distance) P-C4' energy: -19.788
flat angles C4'-P-C4' energy: -20.233
flat angles P-C4'-P energy: -11.844
tors. eta vs tors. theta energy: -21.688
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: 8
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -235.969817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.969817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.969817 (E_RNA)
where:
Base-Base interactions energy: -150.815
where: short stacking energy: -66.291
Base-Backbone interact. energy: -0.997
local terms energy: -84.157238
where:
bonds (distance) C4'-P energy: -13.946
bonds (distance) P-C4' energy: -22.063
flat angles C4'-P-C4' energy: -19.898
flat angles P-C4'-P energy: -12.542
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: 7, replica: 4
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -151.250644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.250644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.250644 (E_RNA)
where:
Base-Base interactions energy: -65.074
where: short stacking energy: -41.392
Base-Backbone interact. energy: -0.306
local terms energy: -85.870699
where:
bonds (distance) C4'-P energy: -16.137
bonds (distance) P-C4' energy: -23.561
flat angles C4'-P-C4' energy: -22.903
flat angles P-C4'-P energy: -11.598
tors. eta vs tors. theta energy: -11.671
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: 6
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -117.307999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.307999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.307999 (E_RNA)
where:
Base-Base interactions energy: -53.705
where: short stacking energy: -39.980
Base-Backbone interact. energy: -0.164
local terms energy: -63.438917
where:
bonds (distance) C4'-P energy: -16.911
bonds (distance) P-C4' energy: -20.840
flat angles C4'-P-C4' energy: -12.759
flat angles P-C4'-P energy: -13.416
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: 9
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -98.665022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.665022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.665022 (E_RNA)
where:
Base-Base interactions energy: -39.237
where: short stacking energy: -39.237
Base-Backbone interact. energy: 0.183
local terms energy: -59.611101
where:
bonds (distance) C4'-P energy: -19.128
bonds (distance) P-C4' energy: -11.223
flat angles C4'-P-C4' energy: -14.368
flat angles P-C4'-P energy: -11.611
tors. eta vs tors. theta energy: -3.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -91.773069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.773069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.773069 (E_RNA)
where:
Base-Base interactions energy: -33.836
where: short stacking energy: -25.684
Base-Backbone interact. energy: -0.866
local terms energy: -57.071807
where:
bonds (distance) C4'-P energy: -9.927
bonds (distance) P-C4' energy: -19.853
flat angles C4'-P-C4' energy: -19.557
flat angles P-C4'-P energy: -12.069
tors. eta vs tors. theta energy: 4.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -334.888722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.888722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.888722 (E_RNA)
where:
Base-Base interactions energy: -222.062
where: short stacking energy: -95.842
Base-Backbone interact. energy: -0.402
local terms energy: -112.424925
where:
bonds (distance) C4'-P energy: -16.294
bonds (distance) P-C4' energy: -23.705
flat angles C4'-P-C4' energy: -25.490
flat angles P-C4'-P energy: -17.819
tors. eta vs tors. theta energy: -29.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -321.263548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.263548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.263548 (E_RNA)
where:
Base-Base interactions energy: -222.731
where: short stacking energy: -88.984
Base-Backbone interact. energy: -0.258
local terms energy: -98.274406
where:
bonds (distance) C4'-P energy: -16.758
bonds (distance) P-C4' energy: -19.722
flat angles C4'-P-C4' energy: -23.303
flat angles P-C4'-P energy: -12.358
tors. eta vs tors. theta energy: -26.133
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: 5
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -297.433095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.433095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.433095 (E_RNA)
where:
Base-Base interactions energy: -202.521
where: short stacking energy: -77.906
Base-Backbone interact. energy: -0.009
local terms energy: -94.903042
where:
bonds (distance) C4'-P energy: -22.290
bonds (distance) P-C4' energy: -21.992
flat angles C4'-P-C4' energy: -24.677
flat angles P-C4'-P energy: -4.974
tors. eta vs tors. theta energy: -20.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -293.593206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.593206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.593206 (E_RNA)
where:
Base-Base interactions energy: -203.803
where: short stacking energy: -81.452
Base-Backbone interact. energy: -0.146
local terms energy: -89.644205
where:
bonds (distance) C4'-P energy: -16.672
bonds (distance) P-C4' energy: -24.367
flat angles C4'-P-C4' energy: -18.938
flat angles P-C4'-P energy: -8.084
tors. eta vs tors. theta energy: -21.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -278.739317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.739317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.739317 (E_RNA)
where:
Base-Base interactions energy: -194.621
where: short stacking energy: -75.701
Base-Backbone interact. energy: -0.400
local terms energy: -83.718275
where:
bonds (distance) C4'-P energy: -16.665
bonds (distance) P-C4' energy: -19.477
flat angles C4'-P-C4' energy: -18.668
flat angles P-C4'-P energy: -7.977
tors. eta vs tors. theta energy: -20.932
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: 8
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -237.824540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.824540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.824540 (E_RNA)
where:
Base-Base interactions energy: -151.620
where: short stacking energy: -78.044
Base-Backbone interact. energy: -0.066
local terms energy: -86.137917
where:
bonds (distance) C4'-P energy: -23.515
bonds (distance) P-C4' energy: -16.684
flat angles C4'-P-C4' energy: -17.466
flat angles P-C4'-P energy: -10.320
tors. eta vs tors. theta energy: -18.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -119.597139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.597139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.597139 (E_RNA)
where:
Base-Base interactions energy: -41.904
where: short stacking energy: -41.904
Base-Backbone interact. energy: 1.018
local terms energy: -78.711092
where:
bonds (distance) C4'-P energy: -17.239
bonds (distance) P-C4' energy: -23.607
flat angles C4'-P-C4' energy: -15.878
flat angles P-C4'-P energy: -11.987
tors. eta vs tors. theta energy: -10.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -134.300988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.300988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.300988 (E_RNA)
where:
Base-Base interactions energy: -62.556
where: short stacking energy: -39.803
Base-Backbone interact. energy: -0.601
local terms energy: -71.143976
where:
bonds (distance) C4'-P energy: -16.675
bonds (distance) P-C4' energy: -16.721
flat angles C4'-P-C4' energy: -18.803
flat angles P-C4'-P energy: -12.255
tors. eta vs tors. theta energy: -6.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -109.421861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.421861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.421861 (E_RNA)
where:
Base-Base interactions energy: -51.492
where: short stacking energy: -27.127
Base-Backbone interact. energy: 0.202
local terms energy: -58.132513
where:
bonds (distance) C4'-P energy: -20.129
bonds (distance) P-C4' energy: -16.407
flat angles C4'-P-C4' energy: -12.001
flat angles P-C4'-P energy: -13.167
tors. eta vs tors. theta energy: 3.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -96.846424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.846424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.846424 (E_RNA)
where:
Base-Base interactions energy: -28.895
where: short stacking energy: -24.043
Base-Backbone interact. energy: 0.201
local terms energy: -68.152295
where:
bonds (distance) C4'-P energy: -18.654
bonds (distance) P-C4' energy: -20.952
flat angles C4'-P-C4' energy: -18.472
flat angles P-C4'-P energy: -12.170
tors. eta vs tors. theta energy: 2.096
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: 2
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -339.210388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.210388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.210388 (E_RNA)
where:
Base-Base interactions energy: -224.561
where: short stacking energy: -103.900
Base-Backbone interact. energy: -0.413
local terms energy: -114.236810
where:
bonds (distance) C4'-P energy: -21.879
bonds (distance) P-C4' energy: -23.279
flat angles C4'-P-C4' energy: -24.667
flat angles P-C4'-P energy: -16.477
tors. eta vs tors. theta energy: -27.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -319.660063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.660063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.660063 (E_RNA)
where:
Base-Base interactions energy: -217.536
where: short stacking energy: -91.705
Base-Backbone interact. energy: -0.083
local terms energy: -102.040902
where:
bonds (distance) C4'-P energy: -22.091
bonds (distance) P-C4' energy: -23.181
flat angles C4'-P-C4' energy: -19.890
flat angles P-C4'-P energy: -11.823
tors. eta vs tors. theta energy: -25.056
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: 5
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -302.580655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.580655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.580655 (E_RNA)
where:
Base-Base interactions energy: -212.007
where: short stacking energy: -86.825
Base-Backbone interact. energy: -0.324
local terms energy: -90.249247
where:
bonds (distance) C4'-P energy: -21.614
bonds (distance) P-C4' energy: -22.640
flat angles C4'-P-C4' energy: -20.530
flat angles P-C4'-P energy: -2.726
tors. eta vs tors. theta energy: -22.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -288.909757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.909757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.909757 (E_RNA)
where:
Base-Base interactions energy: -201.747
where: short stacking energy: -86.231
Base-Backbone interact. energy: -0.284
local terms energy: -86.878661
where:
bonds (distance) C4'-P energy: -19.827
bonds (distance) P-C4' energy: -22.828
flat angles C4'-P-C4' energy: -14.675
flat angles P-C4'-P energy: -9.234
tors. eta vs tors. theta energy: -20.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -285.889643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.889643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.889643 (E_RNA)
where:
Base-Base interactions energy: -198.100
where: short stacking energy: -78.098
Base-Backbone interact. energy: -0.515
local terms energy: -87.274779
where:
bonds (distance) C4'-P energy: -16.072
bonds (distance) P-C4' energy: -17.511
flat angles C4'-P-C4' energy: -21.938
flat angles P-C4'-P energy: -11.659
tors. eta vs tors. theta energy: -20.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -203.146551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.146551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.146551 (E_RNA)
where:
Base-Base interactions energy: -134.457
where: short stacking energy: -47.057
Base-Backbone interact. energy: -0.364
local terms energy: -68.325579
where:
bonds (distance) C4'-P energy: -21.407
bonds (distance) P-C4' energy: -12.440
flat angles C4'-P-C4' energy: -18.071
flat angles P-C4'-P energy: -10.465
tors. eta vs tors. theta energy: -5.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -133.578279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.578279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.578279 (E_RNA)
where:
Base-Base interactions energy: -60.598
where: short stacking energy: -55.702
Base-Backbone interact. energy: -0.030
local terms energy: -72.950245
where:
bonds (distance) C4'-P energy: -11.510
bonds (distance) P-C4' energy: -14.671
flat angles C4'-P-C4' energy: -18.592
flat angles P-C4'-P energy: -11.340
tors. eta vs tors. theta energy: -16.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -164.156415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.156415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.156415 (E_RNA)
where:
Base-Base interactions energy: -91.811
where: short stacking energy: -57.603
Base-Backbone interact. energy: -0.018
local terms energy: -72.327175
where:
bonds (distance) C4'-P energy: -13.687
bonds (distance) P-C4' energy: -17.276
flat angles C4'-P-C4' energy: -20.977
flat angles P-C4'-P energy: -11.260
tors. eta vs tors. theta energy: -9.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -102.343187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.343187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.343187 (E_RNA)
where:
Base-Base interactions energy: -34.366
where: short stacking energy: -34.366
Base-Backbone interact. energy: -0.260
local terms energy: -67.717544
where:
bonds (distance) C4'-P energy: -13.760
bonds (distance) P-C4' energy: -23.494
flat angles C4'-P-C4' energy: -16.077
flat angles P-C4'-P energy: -8.766
tors. eta vs tors. theta energy: -5.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -106.014989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.014989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.014989 (E_RNA)
where:
Base-Base interactions energy: -41.465
where: short stacking energy: -34.092
Base-Backbone interact. energy: -0.217
local terms energy: -64.333098
where:
bonds (distance) C4'-P energy: -14.142
bonds (distance) P-C4' energy: -23.175
flat angles C4'-P-C4' energy: -15.533
flat angles P-C4'-P energy: -8.989
tors. eta vs tors. theta energy: -2.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -333.157769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.157769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.157769 (E_RNA)
where:
Base-Base interactions energy: -228.500
where: short stacking energy: -97.208
Base-Backbone interact. energy: 0.075
local terms energy: -104.732812
where:
bonds (distance) C4'-P energy: -23.337
bonds (distance) P-C4' energy: -17.938
flat angles C4'-P-C4' energy: -19.991
flat angles P-C4'-P energy: -13.517
tors. eta vs tors. theta energy: -29.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -324.362697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.362697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.362697 (E_RNA)
where:
Base-Base interactions energy: -226.146
where: short stacking energy: -103.578
Base-Backbone interact. energy: -0.111
local terms energy: -98.106287
where:
bonds (distance) C4'-P energy: -16.941
bonds (distance) P-C4' energy: -19.410
flat angles C4'-P-C4' energy: -17.981
flat angles P-C4'-P energy: -15.105
tors. eta vs tors. theta energy: -28.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -294.766821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.766821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.766821 (E_RNA)
where:
Base-Base interactions energy: -202.045
where: short stacking energy: -81.650
Base-Backbone interact. energy: -0.326
local terms energy: -92.396304
where:
bonds (distance) C4'-P energy: -20.203
bonds (distance) P-C4' energy: -18.337
flat angles C4'-P-C4' energy: -21.566
flat angles P-C4'-P energy: -8.186
tors. eta vs tors. theta energy: -24.105
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: 5
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -298.769187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.769187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.769187 (E_RNA)
where:
Base-Base interactions energy: -205.554
where: short stacking energy: -83.435
Base-Backbone interact. energy: -0.257
local terms energy: -92.958013
where:
bonds (distance) C4'-P energy: -21.746
bonds (distance) P-C4' energy: -15.176
flat angles C4'-P-C4' energy: -23.001
flat angles P-C4'-P energy: -10.597
tors. eta vs tors. theta energy: -22.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -275.530709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.530709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.530709 (E_RNA)
where:
Base-Base interactions energy: -176.366
where: short stacking energy: -75.158
Base-Backbone interact. energy: 0.953
local terms energy: -100.117127
where:
bonds (distance) C4'-P energy: -20.072
bonds (distance) P-C4' energy: -20.139
flat angles C4'-P-C4' energy: -19.990
flat angles P-C4'-P energy: -14.764
tors. eta vs tors. theta energy: -25.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -179.926082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.926082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.926082 (E_RNA)
where:
Base-Base interactions energy: -96.857
where: short stacking energy: -52.432
Base-Backbone interact. energy: 0.738
local terms energy: -83.807269
where:
bonds (distance) C4'-P energy: -19.623
bonds (distance) P-C4' energy: -17.547
flat angles C4'-P-C4' energy: -18.097
flat angles P-C4'-P energy: -15.100
tors. eta vs tors. theta energy: -13.440
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: 7, replica: 4
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -186.374522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.374522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.374522 (E_RNA)
where:
Base-Base interactions energy: -95.958
where: short stacking energy: -64.614
Base-Backbone interact. energy: -0.015
local terms energy: -90.400879
where:
bonds (distance) C4'-P energy: -20.339
bonds (distance) P-C4' energy: -18.791
flat angles C4'-P-C4' energy: -20.390
flat angles P-C4'-P energy: -10.867
tors. eta vs tors. theta energy: -20.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -113.213921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.213921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.213921 (E_RNA)
where:
Base-Base interactions energy: -37.924
where: short stacking energy: -34.824
Base-Backbone interact. energy: -0.436
local terms energy: -74.854252
where:
bonds (distance) C4'-P energy: -14.228
bonds (distance) P-C4' energy: -23.042
flat angles C4'-P-C4' energy: -18.947
flat angles P-C4'-P energy: -14.934
tors. eta vs tors. theta energy: -3.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -87.568937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.568937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.568937 (E_RNA)
where:
Base-Base interactions energy: -28.905
where: short stacking energy: -28.495
Base-Backbone interact. energy: -0.516
local terms energy: -58.148035
where:
bonds (distance) C4'-P energy: -12.951
bonds (distance) P-C4' energy: -20.764
flat angles C4'-P-C4' energy: -15.291
flat angles P-C4'-P energy: -9.101
tors. eta vs tors. theta energy: -0.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -103.189882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.189882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.189882 (E_RNA)
where:
Base-Base interactions energy: -40.023
where: short stacking energy: -35.214
Base-Backbone interact. energy: -0.937
local terms energy: -62.230474
where:
bonds (distance) C4'-P energy: -14.830
bonds (distance) P-C4' energy: -18.147
flat angles C4'-P-C4' energy: -19.725
flat angles P-C4'-P energy: -8.824
tors. eta vs tors. theta energy: -0.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -330.688265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.688265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.688265 (E_RNA)
where:
Base-Base interactions energy: -223.823
where: short stacking energy: -91.185
Base-Backbone interact. energy: -0.118
local terms energy: -106.747372
where:
bonds (distance) C4'-P energy: -21.055
bonds (distance) P-C4' energy: -21.957
flat angles C4'-P-C4' energy: -21.675
flat angles P-C4'-P energy: -11.885
tors. eta vs tors. theta energy: -30.175
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: 2
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -323.077716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.077716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.077716 (E_RNA)
where:
Base-Base interactions energy: -217.712
where: short stacking energy: -92.177
Base-Backbone interact. energy: -0.230
local terms energy: -105.136597
where:
bonds (distance) C4'-P energy: -13.824
bonds (distance) P-C4' energy: -21.008
flat angles C4'-P-C4' energy: -23.351
flat angles P-C4'-P energy: -16.370
tors. eta vs tors. theta energy: -30.584
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: 3
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -287.565646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.565646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.565646 (E_RNA)
where:
Base-Base interactions energy: -203.912
where: short stacking energy: -85.781
Base-Backbone interact. energy: -1.203
local terms energy: -82.450057
where:
bonds (distance) C4'-P energy: -13.343
bonds (distance) P-C4' energy: -19.613
flat angles C4'-P-C4' energy: -19.595
flat angles P-C4'-P energy: -7.991
tors. eta vs tors. theta energy: -21.908
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: 141
Temperature: 1.050000
Total energy: -293.122263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.122263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.122263 (E_RNA)
where:
Base-Base interactions energy: -196.636
where: short stacking energy: -88.928
Base-Backbone interact. energy: -0.054
local terms energy: -96.432471
where:
bonds (distance) C4'-P energy: -16.299
bonds (distance) P-C4' energy: -21.294
flat angles C4'-P-C4' energy: -21.162
flat angles P-C4'-P energy: -13.291
tors. eta vs tors. theta energy: -24.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -274.005388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.005388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.005388 (E_RNA)
where:
Base-Base interactions energy: -188.918
where: short stacking energy: -78.233
Base-Backbone interact. energy: -0.517
local terms energy: -84.570099
where:
bonds (distance) C4'-P energy: -20.083
bonds (distance) P-C4' energy: -17.344
flat angles C4'-P-C4' energy: -23.492
flat angles P-C4'-P energy: -4.512
tors. eta vs tors. theta energy: -19.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -185.689584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.689584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.689584 (E_RNA)
where:
Base-Base interactions energy: -102.161
where: short stacking energy: -57.051
Base-Backbone interact. energy: -0.343
local terms energy: -83.185940
where:
bonds (distance) C4'-P energy: -21.561
bonds (distance) P-C4' energy: -21.056
flat angles C4'-P-C4' energy: -18.072
flat angles P-C4'-P energy: -7.373
tors. eta vs tors. theta energy: -15.123
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: 7, replica: 8
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -170.877352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.877352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.877352 (E_RNA)
where:
Base-Base interactions energy: -89.554
where: short stacking energy: -43.117
Base-Backbone interact. energy: -0.316
local terms energy: -81.006770
where:
bonds (distance) C4'-P energy: -23.557
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -21.152
flat angles P-C4'-P energy: -14.739
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: 6
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -105.622607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.622607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.622607 (E_RNA)
where:
Base-Base interactions energy: -45.437
where: short stacking energy: -39.448
Base-Backbone interact. energy: -0.132
local terms energy: -60.053409
where:
bonds (distance) C4'-P energy: -18.091
bonds (distance) P-C4' energy: -13.684
flat angles C4'-P-C4' energy: -16.414
flat angles P-C4'-P energy: -5.743
tors. eta vs tors. theta energy: -6.122
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: 9, replica: 9
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -108.693745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.693745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.693745 (E_RNA)
where:
Base-Base interactions energy: -47.228
where: short stacking energy: -39.120
Base-Backbone interact. energy: 1.874
local terms energy: -63.340006
where:
bonds (distance) C4'-P energy: -17.036
bonds (distance) P-C4' energy: -17.896
flat angles C4'-P-C4' energy: -15.873
flat angles P-C4'-P energy: -7.967
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: 1
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -96.086159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.086159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.086159 (E_RNA)
where:
Base-Base interactions energy: -37.849
where: short stacking energy: -37.849
Base-Backbone interact. energy: -0.136
local terms energy: -58.101241
where:
bonds (distance) C4'-P energy: -18.411
bonds (distance) P-C4' energy: -17.073
flat angles C4'-P-C4' energy: -8.763
flat angles P-C4'-P energy: -9.602
tors. eta vs tors. theta energy: -4.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -327.096907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.096907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.096907 (E_RNA)
where:
Base-Base interactions energy: -222.931
where: short stacking energy: -99.621
Base-Backbone interact. energy: -0.241
local terms energy: -103.924630
where:
bonds (distance) C4'-P energy: -15.869
bonds (distance) P-C4' energy: -20.226
flat angles C4'-P-C4' energy: -21.766
flat angles P-C4'-P energy: -15.157
tors. eta vs tors. theta energy: -30.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -321.796833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.796833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.796833 (E_RNA)
where:
Base-Base interactions energy: -218.072
where: short stacking energy: -92.041
Base-Backbone interact. energy: 0.043
local terms energy: -103.767372
where:
bonds (distance) C4'-P energy: -21.578
bonds (distance) P-C4' energy: -20.396
flat angles C4'-P-C4' energy: -20.354
flat angles P-C4'-P energy: -16.347
tors. eta vs tors. theta energy: -25.092
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: 10
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -287.030702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.030702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.030702 (E_RNA)
where:
Base-Base interactions energy: -190.390
where: short stacking energy: -86.134
Base-Backbone interact. energy: -0.367
local terms energy: -96.274106
where:
bonds (distance) C4'-P energy: -16.725
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -24.025
flat angles P-C4'-P energy: -14.547
tors. eta vs tors. theta energy: -23.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -289.096811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.096811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.096811 (E_RNA)
where:
Base-Base interactions energy: -191.397
where: short stacking energy: -72.588
Base-Backbone interact. energy: -0.382
local terms energy: -97.317388
where:
bonds (distance) C4'-P energy: -21.959
bonds (distance) P-C4' energy: -22.660
flat angles C4'-P-C4' energy: -21.328
flat angles P-C4'-P energy: -9.421
tors. eta vs tors. theta energy: -21.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -277.792949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.792949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.792949 (E_RNA)
where:
Base-Base interactions energy: -186.937
where: short stacking energy: -77.596
Base-Backbone interact. energy: -0.014
local terms energy: -90.842178
where:
bonds (distance) C4'-P energy: -19.388
bonds (distance) P-C4' energy: -16.924
flat angles C4'-P-C4' energy: -21.366
flat angles P-C4'-P energy: -8.104
tors. eta vs tors. theta energy: -25.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -191.960011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.960011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.960011 (E_RNA)
where:
Base-Base interactions energy: -102.243
where: short stacking energy: -44.215
Base-Backbone interact. energy: -1.083
local terms energy: -88.633721
where:
bonds (distance) C4'-P energy: -19.317
bonds (distance) P-C4' energy: -22.574
flat angles C4'-P-C4' energy: -22.817
flat angles P-C4'-P energy: -16.401
tors. eta vs tors. theta energy: -7.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -136.793467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.793467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.793467 (E_RNA)
where:
Base-Base interactions energy: -64.358
where: short stacking energy: -41.538
Base-Backbone interact. energy: -0.419
local terms energy: -72.016310
where:
bonds (distance) C4'-P energy: -15.345
bonds (distance) P-C4' energy: -17.780
flat angles C4'-P-C4' energy: -17.840
flat angles P-C4'-P energy: -9.147
tors. eta vs tors. theta energy: -11.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -177.775311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.775311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.775311 (E_RNA)
where:
Base-Base interactions energy: -109.830
where: short stacking energy: -47.573
Base-Backbone interact. energy: -0.449
local terms energy: -67.496010
where:
bonds (distance) C4'-P energy: -17.289
bonds (distance) P-C4' energy: -16.719
flat angles C4'-P-C4' energy: -11.677
flat angles P-C4'-P energy: -11.529
tors. eta vs tors. theta energy: -10.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -177.830401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.830401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.830401 (E_RNA)
where:
Base-Base interactions energy: -105.562
where: short stacking energy: -44.291
Base-Backbone interact. energy: -0.106
local terms energy: -72.162706
where:
bonds (distance) C4'-P energy: -18.536
bonds (distance) P-C4' energy: -5.183
flat angles C4'-P-C4' energy: -21.951
flat angles P-C4'-P energy: -13.418
tors. eta vs tors. theta energy: -13.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -105.031075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.031075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.031075 (E_RNA)
where:
Base-Base interactions energy: -35.523
where: short stacking energy: -32.573
Base-Backbone interact. energy: 0.254
local terms energy: -69.762105
where:
bonds (distance) C4'-P energy: -19.657
bonds (distance) P-C4' energy: -18.813
flat angles C4'-P-C4' energy: -12.918
flat angles P-C4'-P energy: -11.349
tors. eta vs tors. theta energy: -7.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -333.973657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.973657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.973657 (E_RNA)
where:
Base-Base interactions energy: -226.921
where: short stacking energy: -100.309
Base-Backbone interact. energy: -0.061
local terms energy: -106.991988
where:
bonds (distance) C4'-P energy: -19.542
bonds (distance) P-C4' energy: -17.983
flat angles C4'-P-C4' energy: -27.149
flat angles P-C4'-P energy: -14.612
tors. eta vs tors. theta energy: -27.706
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: 143
Temperature: 0.950000
Total energy: -317.065563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.065563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.065563 (E_RNA)
where:
Base-Base interactions energy: -219.399
where: short stacking energy: -82.882
Base-Backbone interact. energy: -0.452
local terms energy: -97.214596
where:
bonds (distance) C4'-P energy: -18.910
bonds (distance) P-C4' energy: -23.000
flat angles C4'-P-C4' energy: -21.505
flat angles P-C4'-P energy: -15.444
tors. eta vs tors. theta energy: -18.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -282.159565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.159565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.159565 (E_RNA)
where:
Base-Base interactions energy: -183.171
where: short stacking energy: -84.441
Base-Backbone interact. energy: -0.047
local terms energy: -98.941437
where:
bonds (distance) C4'-P energy: -23.689
bonds (distance) P-C4' energy: -18.500
flat angles C4'-P-C4' energy: -23.262
flat angles P-C4'-P energy: -12.639
tors. eta vs tors. theta energy: -20.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -280.180061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.180061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.180061 (E_RNA)
where:
Base-Base interactions energy: -190.035
where: short stacking energy: -77.610
Base-Backbone interact. energy: 0.052
local terms energy: -90.197152
where:
bonds (distance) C4'-P energy: -19.435
bonds (distance) P-C4' energy: -20.173
flat angles C4'-P-C4' energy: -20.543
flat angles P-C4'-P energy: -13.133
tors. eta vs tors. theta energy: -16.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -268.568787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.568787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.568787 (E_RNA)
where:
Base-Base interactions energy: -176.298
where: short stacking energy: -76.024
Base-Backbone interact. energy: -0.804
local terms energy: -91.466998
where:
bonds (distance) C4'-P energy: -20.555
bonds (distance) P-C4' energy: -19.070
flat angles C4'-P-C4' energy: -18.613
flat angles P-C4'-P energy: -14.877
tors. eta vs tors. theta energy: -18.352
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: 4
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -205.349620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.349620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.349620 (E_RNA)
where:
Base-Base interactions energy: -119.388
where: short stacking energy: -70.271
Base-Backbone interact. energy: -0.201
local terms energy: -85.760567
where:
bonds (distance) C4'-P energy: -20.322
bonds (distance) P-C4' energy: -17.197
flat angles C4'-P-C4' energy: -14.621
flat angles P-C4'-P energy: -16.456
tors. eta vs tors. theta energy: -17.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -111.413476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.413476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.413476 (E_RNA)
where:
Base-Base interactions energy: -39.164
where: short stacking energy: -32.596
Base-Backbone interact. energy: -0.225
local terms energy: -72.024554
where:
bonds (distance) C4'-P energy: -21.735
bonds (distance) P-C4' energy: -18.628
flat angles C4'-P-C4' energy: -15.324
flat angles P-C4'-P energy: -15.622
tors. eta vs tors. theta energy: -0.715
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: 8
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -161.092578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.092578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.092578 (E_RNA)
where:
Base-Base interactions energy: -102.059
where: short stacking energy: -42.181
Base-Backbone interact. energy: 0.357
local terms energy: -59.390747
where:
bonds (distance) C4'-P energy: -17.259
bonds (distance) P-C4' energy: -15.710
flat angles C4'-P-C4' energy: -15.906
flat angles P-C4'-P energy: -4.811
tors. eta vs tors. theta energy: -5.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -170.621377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.621377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.621377 (E_RNA)
where:
Base-Base interactions energy: -99.018
where: short stacking energy: -58.408
Base-Backbone interact. energy: -0.140
local terms energy: -71.462848
where:
bonds (distance) C4'-P energy: -12.934
bonds (distance) P-C4' energy: -19.028
flat angles C4'-P-C4' energy: -16.812
flat angles P-C4'-P energy: -2.942
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: 10, replica: 9
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -99.027920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.027920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.027920 (E_RNA)
where:
Base-Base interactions energy: -34.270
where: short stacking energy: -34.270
Base-Backbone interact. energy: -0.293
local terms energy: -64.464086
where:
bonds (distance) C4'-P energy: -20.649
bonds (distance) P-C4' energy: -17.911
flat angles C4'-P-C4' energy: -13.609
flat angles P-C4'-P energy: -8.031
tors. eta vs tors. theta energy: -4.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -333.358570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.358570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.358570 (E_RNA)
where:
Base-Base interactions energy: -227.765
where: short stacking energy: -95.760
Base-Backbone interact. energy: -0.143
local terms energy: -105.450981
where:
bonds (distance) C4'-P energy: -21.280
bonds (distance) P-C4' energy: -20.678
flat angles C4'-P-C4' energy: -21.285
flat angles P-C4'-P energy: -15.826
tors. eta vs tors. theta energy: -26.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -323.445435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.445435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.445435 (E_RNA)
where:
Base-Base interactions energy: -220.124
where: short stacking energy: -93.442
Base-Backbone interact. energy: -0.585
local terms energy: -102.736443
where:
bonds (distance) C4'-P energy: -18.476
bonds (distance) P-C4' energy: -19.713
flat angles C4'-P-C4' energy: -23.809
flat angles P-C4'-P energy: -13.128
tors. eta vs tors. theta energy: -27.610
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: 3
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -281.091586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.091586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.091586 (E_RNA)
where:
Base-Base interactions energy: -193.313
where: short stacking energy: -69.982
Base-Backbone interact. energy: -0.176
local terms energy: -87.602363
where:
bonds (distance) C4'-P energy: -23.999
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -16.040
flat angles P-C4'-P energy: -8.768
tors. eta vs tors. theta energy: -21.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -282.404898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.404898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.404898 (E_RNA)
where:
Base-Base interactions energy: -179.458
where: short stacking energy: -80.289
Base-Backbone interact. energy: -0.568
local terms energy: -102.379129
where:
bonds (distance) C4'-P energy: -18.993
bonds (distance) P-C4' energy: -20.837
flat angles C4'-P-C4' energy: -24.264
flat angles P-C4'-P energy: -12.997
tors. eta vs tors. theta energy: -25.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -256.382835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.382835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.382835 (E_RNA)
where:
Base-Base interactions energy: -170.426
where: short stacking energy: -64.785
Base-Backbone interact. energy: -0.608
local terms energy: -85.348910
where:
bonds (distance) C4'-P energy: -16.083
bonds (distance) P-C4' energy: -18.921
flat angles C4'-P-C4' energy: -20.853
flat angles P-C4'-P energy: -13.532
tors. eta vs tors. theta energy: -15.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -185.850657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.850657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.850657 (E_RNA)
where:
Base-Base interactions energy: -113.767
where: short stacking energy: -58.896
Base-Backbone interact. energy: -0.083
local terms energy: -72.000747
where:
bonds (distance) C4'-P energy: -16.167
bonds (distance) P-C4' energy: -18.337
flat angles C4'-P-C4' energy: -16.467
flat angles P-C4'-P energy: -12.554
tors. eta vs tors. theta energy: -8.476
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: 8
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -180.403627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.403627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.403627 (E_RNA)
where:
Base-Base interactions energy: -106.535
where: short stacking energy: -51.299
Base-Backbone interact. energy: -0.300
local terms energy: -73.568010
where:
bonds (distance) C4'-P energy: -13.259
bonds (distance) P-C4' energy: -16.920
flat angles C4'-P-C4' energy: -21.449
flat angles P-C4'-P energy: -13.056
tors. eta vs tors. theta energy: -8.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -127.250193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.250193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.250193 (E_RNA)
where:
Base-Base interactions energy: -62.172
where: short stacking energy: -37.178
Base-Backbone interact. energy: -0.313
local terms energy: -64.764897
where:
bonds (distance) C4'-P energy: -20.131
bonds (distance) P-C4' energy: -18.276
flat angles C4'-P-C4' energy: -16.552
flat angles P-C4'-P energy: -6.881
tors. eta vs tors. theta energy: -2.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -165.934913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.934913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.934913 (E_RNA)
where:
Base-Base interactions energy: -90.783
where: short stacking energy: -45.782
Base-Backbone interact. energy: -0.198
local terms energy: -74.953420
where:
bonds (distance) C4'-P energy: -20.493
bonds (distance) P-C4' energy: -20.747
flat angles C4'-P-C4' energy: -16.006
flat angles P-C4'-P energy: -10.920
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: 10, replica: 9
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -106.223575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.223575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.223575 (E_RNA)
where:
Base-Base interactions energy: -44.068
where: short stacking energy: -31.562
Base-Backbone interact. energy: 1.921
local terms energy: -64.076821
where:
bonds (distance) C4'-P energy: -15.148
bonds (distance) P-C4' energy: -18.670
flat angles C4'-P-C4' energy: -14.957
flat angles P-C4'-P energy: -11.485
tors. eta vs tors. theta energy: -3.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -326.490188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.490188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.490188 (E_RNA)
where:
Base-Base interactions energy: -227.295
where: short stacking energy: -91.651
Base-Backbone interact. energy: 0.166
local terms energy: -99.360965
where:
bonds (distance) C4'-P energy: -21.905
bonds (distance) P-C4' energy: -22.108
flat angles C4'-P-C4' energy: -18.905
flat angles P-C4'-P energy: -11.877
tors. eta vs tors. theta energy: -24.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -325.078414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.078414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.078414 (E_RNA)
where:
Base-Base interactions energy: -221.557
where: short stacking energy: -92.730
Base-Backbone interact. energy: 0.002
local terms energy: -103.523235
where:
bonds (distance) C4'-P energy: -19.778
bonds (distance) P-C4' energy: -22.259
flat angles C4'-P-C4' energy: -21.624
flat angles P-C4'-P energy: -14.021
tors. eta vs tors. theta energy: -25.842
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: 3
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -275.936620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.936620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.936620 (E_RNA)
where:
Base-Base interactions energy: -189.034
where: short stacking energy: -73.640
Base-Backbone interact. energy: -0.980
local terms energy: -85.923147
where:
bonds (distance) C4'-P energy: -16.833
bonds (distance) P-C4' energy: -17.567
flat angles C4'-P-C4' energy: -21.139
flat angles P-C4'-P energy: -13.234
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: 4, replica: 10
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -286.652257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.652257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.652257 (E_RNA)
where:
Base-Base interactions energy: -195.948
where: short stacking energy: -78.916
Base-Backbone interact. energy: -0.113
local terms energy: -90.591002
where:
bonds (distance) C4'-P energy: -17.331
bonds (distance) P-C4' energy: -21.491
flat angles C4'-P-C4' energy: -21.590
flat angles P-C4'-P energy: -8.091
tors. eta vs tors. theta energy: -22.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -280.460184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.460184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.460184 (E_RNA)
where:
Base-Base interactions energy: -186.401
where: short stacking energy: -74.992
Base-Backbone interact. energy: 1.756
local terms energy: -95.815541
where:
bonds (distance) C4'-P energy: -20.452
bonds (distance) P-C4' energy: -24.174
flat angles C4'-P-C4' energy: -22.010
flat angles P-C4'-P energy: -12.176
tors. eta vs tors. theta energy: -17.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -181.475550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.475550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.475550 (E_RNA)
where:
Base-Base interactions energy: -107.128
where: short stacking energy: -63.496
Base-Backbone interact. energy: -0.010
local terms energy: -74.338101
where:
bonds (distance) C4'-P energy: -17.488
bonds (distance) P-C4' energy: -14.266
flat angles C4'-P-C4' energy: -16.991
flat angles P-C4'-P energy: -9.727
tors. eta vs tors. theta energy: -15.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -185.241976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.241976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.241976 (E_RNA)
where:
Base-Base interactions energy: -113.815
where: short stacking energy: -69.980
Base-Backbone interact. energy: 0.624
local terms energy: -72.050717
where:
bonds (distance) C4'-P energy: -16.572
bonds (distance) P-C4' energy: -18.371
flat angles C4'-P-C4' energy: -17.462
flat angles P-C4'-P energy: -7.938
tors. eta vs tors. theta energy: -11.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -156.943739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.943739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.943739 (E_RNA)
where:
Base-Base interactions energy: -84.150
where: short stacking energy: -53.257
Base-Backbone interact. energy: -0.181
local terms energy: -72.613240
where:
bonds (distance) C4'-P energy: -13.492
bonds (distance) P-C4' energy: -18.804
flat angles C4'-P-C4' energy: -17.498
flat angles P-C4'-P energy: -13.699
tors. eta vs tors. theta energy: -9.121
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: 6
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -113.903975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.903975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.903975 (E_RNA)
where:
Base-Base interactions energy: -47.907
where: short stacking energy: -25.835
Base-Backbone interact. energy: 0.211
local terms energy: -66.208227
where:
bonds (distance) C4'-P energy: -20.821
bonds (distance) P-C4' energy: -17.567
flat angles C4'-P-C4' energy: -14.275
flat angles P-C4'-P energy: -4.760
tors. eta vs tors. theta energy: -8.786
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: 9
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -102.991439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.991439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.991439 (E_RNA)
where:
Base-Base interactions energy: -37.838
where: short stacking energy: -37.838
Base-Backbone interact. energy: -0.221
local terms energy: -64.932275
where:
bonds (distance) C4'-P energy: -20.410
bonds (distance) P-C4' energy: -20.210
flat angles C4'-P-C4' energy: -9.813
flat angles P-C4'-P energy: -6.987
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: 1, replica: 2
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -336.446496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.446496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.446496 (E_RNA)
where:
Base-Base interactions energy: -221.907
where: short stacking energy: -106.022
Base-Backbone interact. energy: -0.130
local terms energy: -114.409305
where:
bonds (distance) C4'-P energy: -22.558
bonds (distance) P-C4' energy: -19.844
flat angles C4'-P-C4' energy: -24.575
flat angles P-C4'-P energy: -17.570
tors. eta vs tors. theta energy: -29.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -325.210514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.210514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.210514 (E_RNA)
where:
Base-Base interactions energy: -221.364
where: short stacking energy: -92.344
Base-Backbone interact. energy: -1.405
local terms energy: -102.442078
where:
bonds (distance) C4'-P energy: -18.995
bonds (distance) P-C4' energy: -23.141
flat angles C4'-P-C4' energy: -24.311
flat angles P-C4'-P energy: -8.788
tors. eta vs tors. theta energy: -27.207
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: 10
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -301.595614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.595614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.595614 (E_RNA)
where:
Base-Base interactions energy: -206.667
where: short stacking energy: -89.874
Base-Backbone interact. energy: -0.040
local terms energy: -94.888268
where:
bonds (distance) C4'-P energy: -20.364
bonds (distance) P-C4' energy: -19.147
flat angles C4'-P-C4' energy: -20.145
flat angles P-C4'-P energy: -12.465
tors. eta vs tors. theta energy: -22.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -295.307797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.307797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.307797 (E_RNA)
where:
Base-Base interactions energy: -200.787
where: short stacking energy: -91.451
Base-Backbone interact. energy: -0.119
local terms energy: -94.401987
where:
bonds (distance) C4'-P energy: -19.501
bonds (distance) P-C4' energy: -19.143
flat angles C4'-P-C4' energy: -24.126
flat angles P-C4'-P energy: -12.346
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: 146
Temperature: 1.100000
Total energy: -265.607096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.607096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.607096 (E_RNA)
where:
Base-Base interactions energy: -177.810
where: short stacking energy: -70.726
Base-Backbone interact. energy: 0.767
local terms energy: -88.563882
where:
bonds (distance) C4'-P energy: -17.416
bonds (distance) P-C4' energy: -16.866
flat angles C4'-P-C4' energy: -21.619
flat angles P-C4'-P energy: -17.624
tors. eta vs tors. theta energy: -15.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -211.449836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.449836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.449836 (E_RNA)
where:
Base-Base interactions energy: -125.141
where: short stacking energy: -61.910
Base-Backbone interact. energy: -0.218
local terms energy: -86.091463
where:
bonds (distance) C4'-P energy: -18.623
bonds (distance) P-C4' energy: -18.864
flat angles C4'-P-C4' energy: -18.963
flat angles P-C4'-P energy: -14.393
tors. eta vs tors. theta energy: -15.249
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: 1
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -125.760023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.760023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.760023 (E_RNA)
where:
Base-Base interactions energy: -53.498
where: short stacking energy: -37.129
Base-Backbone interact. energy: -0.036
local terms energy: -72.226122
where:
bonds (distance) C4'-P energy: -17.898
bonds (distance) P-C4' energy: -22.520
flat angles C4'-P-C4' energy: -12.538
flat angles P-C4'-P energy: -9.765
tors. eta vs tors. theta energy: -9.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -167.776115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.776115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.776115 (E_RNA)
where:
Base-Base interactions energy: -96.907
where: short stacking energy: -46.568
Base-Backbone interact. energy: -0.444
local terms energy: -70.425376
where:
bonds (distance) C4'-P energy: -16.853
bonds (distance) P-C4' energy: -20.199
flat angles C4'-P-C4' energy: -13.208
flat angles P-C4'-P energy: -11.858
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: 9, replica: 6
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -120.101845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.101845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.101845 (E_RNA)
where:
Base-Base interactions energy: -52.389
where: short stacking energy: -27.261
Base-Backbone interact. energy: -0.617
local terms energy: -67.095442
where:
bonds (distance) C4'-P energy: -21.047
bonds (distance) P-C4' energy: -15.817
flat angles C4'-P-C4' energy: -19.057
flat angles P-C4'-P energy: -5.641
tors. eta vs tors. theta energy: -5.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -99.884491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.884491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.884491 (E_RNA)
where:
Base-Base interactions energy: -38.264
where: short stacking energy: -26.407
Base-Backbone interact. energy: -0.205
local terms energy: -61.414955
where:
bonds (distance) C4'-P energy: -20.223
bonds (distance) P-C4' energy: -23.114
flat angles C4'-P-C4' energy: -12.432
flat angles P-C4'-P energy: -8.898
tors. eta vs tors. theta energy: 3.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -332.525824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.525824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.525824 (E_RNA)
where:
Base-Base interactions energy: -224.280
where: short stacking energy: -97.438
Base-Backbone interact. energy: -0.496
local terms energy: -107.750036
where:
bonds (distance) C4'-P energy: -21.449
bonds (distance) P-C4' energy: -18.596
flat angles C4'-P-C4' energy: -22.702
flat angles P-C4'-P energy: -15.403
tors. eta vs tors. theta energy: -29.600
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: 7
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -330.547596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.547596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.547596 (E_RNA)
where:
Base-Base interactions energy: -227.125
where: short stacking energy: -88.963
Base-Backbone interact. energy: -0.154
local terms energy: -103.268795
where:
bonds (distance) C4'-P energy: -21.084
bonds (distance) P-C4' energy: -18.239
flat angles C4'-P-C4' energy: -20.743
flat angles P-C4'-P energy: -12.843
tors. eta vs tors. theta energy: -30.360
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: 10
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -288.124669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.124669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.124669 (E_RNA)
where:
Base-Base interactions energy: -187.765
where: short stacking energy: -87.442
Base-Backbone interact. energy: -0.060
local terms energy: -100.299914
where:
bonds (distance) C4'-P energy: -19.900
bonds (distance) P-C4' energy: -20.720
flat angles C4'-P-C4' energy: -23.962
flat angles P-C4'-P energy: -14.588
tors. eta vs tors. theta energy: -21.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -276.741881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.741881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.741881 (E_RNA)
where:
Base-Base interactions energy: -179.029
where: short stacking energy: -75.309
Base-Backbone interact. energy: -0.772
local terms energy: -96.940903
where:
bonds (distance) C4'-P energy: -22.376
bonds (distance) P-C4' energy: -21.306
flat angles C4'-P-C4' energy: -17.608
flat angles P-C4'-P energy: -14.102
tors. eta vs tors. theta energy: -21.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -279.496871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.496871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.496871 (E_RNA)
where:
Base-Base interactions energy: -207.849
where: short stacking energy: -80.859
Base-Backbone interact. energy: 1.913
local terms energy: -73.560233
where:
bonds (distance) C4'-P energy: -17.455
bonds (distance) P-C4' energy: -22.605
flat angles C4'-P-C4' energy: -13.785
flat angles P-C4'-P energy: -0.033
tors. eta vs tors. theta energy: -19.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -207.344953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.344953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.344953 (E_RNA)
where:
Base-Base interactions energy: -122.945
where: short stacking energy: -75.683
Base-Backbone interact. energy: -0.117
local terms energy: -84.283024
where:
bonds (distance) C4'-P energy: -16.954
bonds (distance) P-C4' energy: -17.484
flat angles C4'-P-C4' energy: -21.562
flat angles P-C4'-P energy: -11.409
tors. eta vs tors. theta energy: -16.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -134.452806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.452806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.452806 (E_RNA)
where:
Base-Base interactions energy: -64.019
where: short stacking energy: -57.111
Base-Backbone interact. energy: -0.512
local terms energy: -69.921163
where:
bonds (distance) C4'-P energy: -21.189
bonds (distance) P-C4' energy: -19.866
flat angles C4'-P-C4' energy: -13.581
flat angles P-C4'-P energy: -9.360
tors. eta vs tors. theta energy: -5.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -179.713973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.713973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.713973 (E_RNA)
where:
Base-Base interactions energy: -105.506
where: short stacking energy: -56.795
Base-Backbone interact. energy: -0.393
local terms energy: -73.815030
where:
bonds (distance) C4'-P energy: -11.536
bonds (distance) P-C4' energy: -19.745
flat angles C4'-P-C4' energy: -18.460
flat angles P-C4'-P energy: -11.750
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: 9, replica: 6
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -106.794158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.794158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.794158 (E_RNA)
where:
Base-Base interactions energy: -46.096
where: short stacking energy: -46.096
Base-Backbone interact. energy: 2.103
local terms energy: -62.801123
where:
bonds (distance) C4'-P energy: -16.103
bonds (distance) P-C4' energy: -19.603
flat angles C4'-P-C4' energy: -19.050
flat angles P-C4'-P energy: -6.543
tors. eta vs tors. theta energy: -1.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -99.139522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.139522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.139522 (E_RNA)
where:
Base-Base interactions energy: -36.859
where: short stacking energy: -21.631
Base-Backbone interact. energy: 0.816
local terms energy: -63.097454
where:
bonds (distance) C4'-P energy: -15.876
bonds (distance) P-C4' energy: -15.415
flat angles C4'-P-C4' energy: -21.909
flat angles P-C4'-P energy: -10.720
tors. eta vs tors. theta energy: 0.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -329.975824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.975824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.975824 (E_RNA)
where:
Base-Base interactions energy: -229.953
where: short stacking energy: -97.217
Base-Backbone interact. energy: 0.231
local terms energy: -100.253738
where:
bonds (distance) C4'-P energy: -19.901
bonds (distance) P-C4' energy: -22.284
flat angles C4'-P-C4' energy: -19.412
flat angles P-C4'-P energy: -13.720
tors. eta vs tors. theta energy: -24.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -327.772683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.772683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.772683 (E_RNA)
where:
Base-Base interactions energy: -218.913
where: short stacking energy: -96.442
Base-Backbone interact. energy: -0.123
local terms energy: -108.736716
where:
bonds (distance) C4'-P energy: -20.932
bonds (distance) P-C4' energy: -22.208
flat angles C4'-P-C4' energy: -22.793
flat angles P-C4'-P energy: -14.211
tors. eta vs tors. theta energy: -28.593
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: 148
Temperature: 1.000000
Total energy: -297.366097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.366097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.366097 (E_RNA)
where:
Base-Base interactions energy: -198.366
where: short stacking energy: -80.961
Base-Backbone interact. energy: -0.340
local terms energy: -98.659927
where:
bonds (distance) C4'-P energy: -17.438
bonds (distance) P-C4' energy: -20.864
flat angles C4'-P-C4' energy: -19.652
flat angles P-C4'-P energy: -14.746
tors. eta vs tors. theta energy: -25.961
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: 5
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -273.650161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.650161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.650161 (E_RNA)
where:
Base-Base interactions energy: -184.473
where: short stacking energy: -77.751
Base-Backbone interact. energy: -0.102
local terms energy: -89.074362
where:
bonds (distance) C4'-P energy: -18.200
bonds (distance) P-C4' energy: -20.739
flat angles C4'-P-C4' energy: -21.784
flat angles P-C4'-P energy: -8.604
tors. eta vs tors. theta energy: -19.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -263.589940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.589940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.589940 (E_RNA)
where:
Base-Base interactions energy: -173.862
where: short stacking energy: -77.036
Base-Backbone interact. energy: -0.296
local terms energy: -89.432474
where:
bonds (distance) C4'-P energy: -19.521
bonds (distance) P-C4' energy: -19.320
flat angles C4'-P-C4' energy: -21.877
flat angles P-C4'-P energy: -9.412
tors. eta vs tors. theta energy: -19.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -190.411157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.411157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.411157 (E_RNA)
where:
Base-Base interactions energy: -110.642
where: short stacking energy: -55.098
Base-Backbone interact. energy: -0.322
local terms energy: -79.447687
where:
bonds (distance) C4'-P energy: -17.162
bonds (distance) P-C4' energy: -21.408
flat angles C4'-P-C4' energy: -18.304
flat angles P-C4'-P energy: -11.851
tors. eta vs tors. theta energy: -10.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -178.725747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.725747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.725747 (E_RNA)
where:
Base-Base interactions energy: -109.225
where: short stacking energy: -55.242
Base-Backbone interact. energy: 0.279
local terms energy: -69.779731
where:
bonds (distance) C4'-P energy: -17.115
bonds (distance) P-C4' energy: -22.762
flat angles C4'-P-C4' energy: -11.452
flat angles P-C4'-P energy: -6.072
tors. eta vs tors. theta energy: -12.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -104.356187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.356187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.356187 (E_RNA)
where:
Base-Base interactions energy: -40.912
where: short stacking energy: -37.224
Base-Backbone interact. energy: 0.136
local terms energy: -63.580063
where:
bonds (distance) C4'-P energy: -16.511
bonds (distance) P-C4' energy: -18.788
flat angles C4'-P-C4' energy: -12.170
flat angles P-C4'-P energy: -11.371
tors. eta vs tors. theta energy: -4.740
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: 9, replica: 9
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -105.387431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.387431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.387431 (E_RNA)
where:
Base-Base interactions energy: -40.446
where: short stacking energy: -33.748
Base-Backbone interact. energy: -0.370
local terms energy: -64.571210
where:
bonds (distance) C4'-P energy: -16.025
bonds (distance) P-C4' energy: -20.897
flat angles C4'-P-C4' energy: -14.913
flat angles P-C4'-P energy: -10.587
tors. eta vs tors. theta energy: -2.149
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: 10, replica: 6
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -102.263356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.263356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.263356 (E_RNA)
where:
Base-Base interactions energy: -37.442
where: short stacking energy: -37.742
Base-Backbone interact. energy: -0.918
local terms energy: -63.903300
where:
bonds (distance) C4'-P energy: -20.356
bonds (distance) P-C4' energy: -20.111
flat angles C4'-P-C4' energy: -13.324
flat angles P-C4'-P energy: -8.853
tors. eta vs tors. theta energy: -1.260
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: 7
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -333.275843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.275843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.275843 (E_RNA)
where:
Base-Base interactions energy: -230.062
where: short stacking energy: -89.759
Base-Backbone interact. energy: -0.093
local terms energy: -103.121269
where:
bonds (distance) C4'-P energy: -21.057
bonds (distance) P-C4' energy: -20.362
flat angles C4'-P-C4' energy: -22.988
flat angles P-C4'-P energy: -16.386
tors. eta vs tors. theta energy: -22.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -321.442431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.442431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.442431 (E_RNA)
where:
Base-Base interactions energy: -220.313
where: short stacking energy: -88.150
Base-Backbone interact. energy: -0.276
local terms energy: -100.853213
where:
bonds (distance) C4'-P energy: -18.117
bonds (distance) P-C4' energy: -22.027
flat angles C4'-P-C4' energy: -23.608
flat angles P-C4'-P energy: -13.776
tors. eta vs tors. theta energy: -23.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -312.851204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.851204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.851204 (E_RNA)
where:
Base-Base interactions energy: -226.314
where: short stacking energy: -84.183
Base-Backbone interact. energy: 0.597
local terms energy: -87.134020
where:
bonds (distance) C4'-P energy: -18.700
bonds (distance) P-C4' energy: -12.340
flat angles C4'-P-C4' energy: -19.001
flat angles P-C4'-P energy: -9.154
tors. eta vs tors. theta energy: -27.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -276.650037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.650037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.650037 (E_RNA)
where:
Base-Base interactions energy: -185.526
where: short stacking energy: -75.918
Base-Backbone interact. energy: -0.094
local terms energy: -91.030262
where:
bonds (distance) C4'-P energy: -19.015
bonds (distance) P-C4' energy: -19.363
flat angles C4'-P-C4' energy: -14.560
flat angles P-C4'-P energy: -14.931
tors. eta vs tors. theta energy: -23.161
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: 5
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -267.188730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.188730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.188730 (E_RNA)
where:
Base-Base interactions energy: -182.171
where: short stacking energy: -81.818
Base-Backbone interact. energy: -0.515
local terms energy: -84.502425
where:
bonds (distance) C4'-P energy: -19.547
bonds (distance) P-C4' energy: -17.681
flat angles C4'-P-C4' energy: -20.980
flat angles P-C4'-P energy: -7.685
tors. eta vs tors. theta energy: -18.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -207.391252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.391252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.391252 (E_RNA)
where:
Base-Base interactions energy: -129.748
where: short stacking energy: -57.583
Base-Backbone interact. energy: -0.318
local terms energy: -77.325131
where:
bonds (distance) C4'-P energy: -15.958
bonds (distance) P-C4' energy: -21.377
flat angles C4'-P-C4' energy: -16.297
flat angles P-C4'-P energy: -13.256
tors. eta vs tors. theta energy: -10.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -172.831102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.831102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.831102 (E_RNA)
where:
Base-Base interactions energy: -98.387
where: short stacking energy: -47.976
Base-Backbone interact. energy: -0.113
local terms energy: -74.331038
where:
bonds (distance) C4'-P energy: -13.728
bonds (distance) P-C4' energy: -24.647
flat angles C4'-P-C4' energy: -20.938
flat angles P-C4'-P energy: -12.701
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: 8, replica: 9
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -118.311389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.311389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.311389 (E_RNA)
where:
Base-Base interactions energy: -59.165
where: short stacking energy: -43.821
Base-Backbone interact. energy: -0.118
local terms energy: -59.028271
where:
bonds (distance) C4'-P energy: -18.403
bonds (distance) P-C4' energy: -16.752
flat angles C4'-P-C4' energy: -10.374
flat angles P-C4'-P energy: -11.000
tors. eta vs tors. theta energy: -2.499
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: 1
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -106.888141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.888141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.888141 (E_RNA)
where:
Base-Base interactions energy: -50.081
where: short stacking energy: -25.167
Base-Backbone interact. energy: -0.179
local terms energy: -56.628661
where:
bonds (distance) C4'-P energy: -17.247
bonds (distance) P-C4' energy: -16.404
flat angles C4'-P-C4' energy: -16.753
flat angles P-C4'-P energy: -9.481
tors. eta vs tors. theta energy: 3.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -98.576152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.576152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.576152 (E_RNA)
where:
Base-Base interactions energy: -36.131
where: short stacking energy: -27.996
Base-Backbone interact. energy: 0.970
local terms energy: -63.415360
where:
bonds (distance) C4'-P energy: -17.243
bonds (distance) P-C4' energy: -19.599
flat angles C4'-P-C4' energy: -13.583
flat angles P-C4'-P energy: -5.791
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: 1, replica: 2
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -324.081263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.081263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.081263 (E_RNA)
where:
Base-Base interactions energy: -218.902
where: short stacking energy: -93.855
Base-Backbone interact. energy: -0.975
local terms energy: -104.204087
where:
bonds (distance) C4'-P energy: -18.787
bonds (distance) P-C4' energy: -23.893
flat angles C4'-P-C4' energy: -21.573
flat angles P-C4'-P energy: -12.374
tors. eta vs tors. theta energy: -27.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -326.671453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.671453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.671453 (E_RNA)
where:
Base-Base interactions energy: -230.704
where: short stacking energy: -92.792
Base-Backbone interact. energy: -0.558
local terms energy: -95.409180
where:
bonds (distance) C4'-P energy: -19.020
bonds (distance) P-C4' energy: -19.056
flat angles C4'-P-C4' energy: -18.375
flat angles P-C4'-P energy: -14.618
tors. eta vs tors. theta energy: -24.340
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: 10
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -303.674627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.674627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.674627 (E_RNA)
where:
Base-Base interactions energy: -213.799
where: short stacking energy: -84.326
Base-Backbone interact. energy: -0.236
local terms energy: -89.639594
where:
bonds (distance) C4'-P energy: -13.094
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -22.231
flat angles P-C4'-P energy: -10.759
tors. eta vs tors. theta energy: -26.930
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: 3
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -276.983108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.983108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.983108 (E_RNA)
where:
Base-Base interactions energy: -184.151
where: short stacking energy: -78.512
Base-Backbone interact. energy: 0.657
local terms energy: -93.489940
where:
bonds (distance) C4'-P energy: -21.218
bonds (distance) P-C4' energy: -18.099
flat angles C4'-P-C4' energy: -18.423
flat angles P-C4'-P energy: -15.380
tors. eta vs tors. theta energy: -20.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -262.530068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.530068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.530068 (E_RNA)
where:
Base-Base interactions energy: -178.021
where: short stacking energy: -66.584
Base-Backbone interact. energy: 0.760
local terms energy: -85.269872
where:
bonds (distance) C4'-P energy: -19.595
bonds (distance) P-C4' energy: -21.011
flat angles C4'-P-C4' energy: -20.983
flat angles P-C4'-P energy: -8.308
tors. eta vs tors. theta energy: -15.373
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: 4
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -202.103627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.103627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.103627 (E_RNA)
where:
Base-Base interactions energy: -123.755
where: short stacking energy: -51.482
Base-Backbone interact. energy: -0.337
local terms energy: -78.011606
where:
bonds (distance) C4'-P energy: -17.894
bonds (distance) P-C4' energy: -16.642
flat angles C4'-P-C4' energy: -21.249
flat angles P-C4'-P energy: -14.115
tors. eta vs tors. theta energy: -8.112
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: 8
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -175.543923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.543923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.543923 (E_RNA)
where:
Base-Base interactions energy: -98.341
where: short stacking energy: -58.077
Base-Backbone interact. energy: -0.499
local terms energy: -76.703397
where:
bonds (distance) C4'-P energy: -11.310
bonds (distance) P-C4' energy: -20.284
flat angles C4'-P-C4' energy: -21.384
flat angles P-C4'-P energy: -11.225
tors. eta vs tors. theta energy: -12.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -113.427229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.427229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.427229 (E_RNA)
where:
Base-Base interactions energy: -38.513
where: short stacking energy: -25.973
Base-Backbone interact. energy: -0.447
local terms energy: -74.467099
where:
bonds (distance) C4'-P energy: -23.407
bonds (distance) P-C4' energy: -20.122
flat angles C4'-P-C4' energy: -16.262
flat angles P-C4'-P energy: -15.073
tors. eta vs tors. theta energy: 0.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -112.155894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.155894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.155894 (E_RNA)
where:
Base-Base interactions energy: -39.335
where: short stacking energy: -30.229
Base-Backbone interact. energy: -0.118
local terms energy: -72.702032
where:
bonds (distance) C4'-P energy: -17.562
bonds (distance) P-C4' energy: -17.192
flat angles C4'-P-C4' energy: -17.444
flat angles P-C4'-P energy: -11.928
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: 10, replica: 6
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -110.168078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.168078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.168078 (E_RNA)
where:
Base-Base interactions energy: -42.037
where: short stacking energy: -39.250
Base-Backbone interact. energy: -0.328
local terms energy: -67.802570
where:
bonds (distance) C4'-P energy: -13.106
bonds (distance) P-C4' energy: -21.070
flat angles C4'-P-C4' energy: -16.395
flat angles P-C4'-P energy: -9.530
tors. eta vs tors. theta energy: -7.701
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: 2
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -326.994329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.994329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.994329 (E_RNA)
where:
Base-Base interactions energy: -226.553
where: short stacking energy: -84.820
Base-Backbone interact. energy: -0.176
local terms energy: -100.265301
where:
bonds (distance) C4'-P energy: -20.897
bonds (distance) P-C4' energy: -21.629
flat angles C4'-P-C4' energy: -19.986
flat angles P-C4'-P energy: -15.733
tors. eta vs tors. theta energy: -22.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -327.059048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.059048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.059048 (E_RNA)
where:
Base-Base interactions energy: -223.991
where: short stacking energy: -94.094
Base-Backbone interact. energy: -0.118
local terms energy: -102.949754
where:
bonds (distance) C4'-P energy: -22.402
bonds (distance) P-C4' energy: -18.887
flat angles C4'-P-C4' energy: -21.299
flat angles P-C4'-P energy: -19.119
tors. eta vs tors. theta energy: -21.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -313.424637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.424637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.424637 (E_RNA)
where:
Base-Base interactions energy: -216.096
where: short stacking energy: -89.619
Base-Backbone interact. energy: -0.045
local terms energy: -97.283832
where:
bonds (distance) C4'-P energy: -18.047
bonds (distance) P-C4' energy: -22.270
flat angles C4'-P-C4' energy: -20.817
flat angles P-C4'-P energy: -11.226
tors. eta vs tors. theta energy: -24.924
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: 3
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -286.287042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.287042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.287042 (E_RNA)
where:
Base-Base interactions energy: -191.731
where: short stacking energy: -70.486
Base-Backbone interact. energy: -1.205
local terms energy: -93.351136
where:
bonds (distance) C4'-P energy: -15.914
bonds (distance) P-C4' energy: -18.326
flat angles C4'-P-C4' energy: -19.208
flat angles P-C4'-P energy: -15.049
tors. eta vs tors. theta energy: -24.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -249.992031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.992031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.992031 (E_RNA)
where:
Base-Base interactions energy: -171.937
where: short stacking energy: -68.507
Base-Backbone interact. energy: -0.245
local terms energy: -77.809698
where:
bonds (distance) C4'-P energy: -15.742
bonds (distance) P-C4' energy: -22.328
flat angles C4'-P-C4' energy: -14.655
flat angles P-C4'-P energy: -11.923
tors. eta vs tors. theta energy: -13.162
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: 6, replica: 8
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -177.656802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.656802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.656802 (E_RNA)
where:
Base-Base interactions energy: -98.979
where: short stacking energy: -57.777
Base-Backbone interact. energy: -0.039
local terms energy: -78.638805
where:
bonds (distance) C4'-P energy: -10.695
bonds (distance) P-C4' energy: -19.828
flat angles C4'-P-C4' energy: -16.551
flat angles P-C4'-P energy: -18.261
tors. eta vs tors. theta energy: -13.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -174.605213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.605213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.605213 (E_RNA)
where:
Base-Base interactions energy: -101.557
where: short stacking energy: -42.440
Base-Backbone interact. energy: 1.347
local terms energy: -74.395207
where:
bonds (distance) C4'-P energy: -12.460
bonds (distance) P-C4' energy: -22.803
flat angles C4'-P-C4' energy: -18.780
flat angles P-C4'-P energy: -10.850
tors. eta vs tors. theta energy: -9.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -122.080010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.080010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.080010 (E_RNA)
where:
Base-Base interactions energy: -47.207
where: short stacking energy: -44.225
Base-Backbone interact. energy: -0.011
local terms energy: -74.862219
where:
bonds (distance) C4'-P energy: -21.072
bonds (distance) P-C4' energy: -20.435
flat angles C4'-P-C4' energy: -13.615
flat angles P-C4'-P energy: -10.174
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: 1
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -104.580496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.580496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.580496 (E_RNA)
where:
Base-Base interactions energy: -39.756
where: short stacking energy: -38.939
Base-Backbone interact. energy: -0.254
local terms energy: -64.570541
where:
bonds (distance) C4'-P energy: -15.744
bonds (distance) P-C4' energy: -15.846
flat angles C4'-P-C4' energy: -15.608
flat angles P-C4'-P energy: -15.623
tors. eta vs tors. theta energy: -1.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -106.054006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.054006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.054006 (E_RNA)
where:
Base-Base interactions energy: -40.637
where: short stacking energy: -28.476
Base-Backbone interact. energy: -0.196
local terms energy: -65.221174
where:
bonds (distance) C4'-P energy: -17.661
bonds (distance) P-C4' energy: -18.883
flat angles C4'-P-C4' energy: -16.912
flat angles P-C4'-P energy: -9.878
tors. eta vs tors. theta energy: -1.887
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: 2
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -324.508516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.508516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.508516 (E_RNA)
where:
Base-Base interactions energy: -215.496
where: short stacking energy: -100.700
Base-Backbone interact. energy: 1.323
local terms energy: -110.335143
where:
bonds (distance) C4'-P energy: -23.804
bonds (distance) P-C4' energy: -23.870
flat angles C4'-P-C4' energy: -23.374
flat angles P-C4'-P energy: -14.451
tors. eta vs tors. theta energy: -24.836
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: 7
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -329.174486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.174486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.174486 (E_RNA)
where:
Base-Base interactions energy: -223.215
where: short stacking energy: -85.095
Base-Backbone interact. energy: -1.254
local terms energy: -104.706279
where:
bonds (distance) C4'-P energy: -17.935
bonds (distance) P-C4' energy: -23.079
flat angles C4'-P-C4' energy: -21.463
flat angles P-C4'-P energy: -15.023
tors. eta vs tors. theta energy: -27.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -302.639665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.639665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.639665 (E_RNA)
where:
Base-Base interactions energy: -206.996
where: short stacking energy: -77.392
Base-Backbone interact. energy: -0.140
local terms energy: -95.503497
where:
bonds (distance) C4'-P energy: -19.626
bonds (distance) P-C4' energy: -22.161
flat angles C4'-P-C4' energy: -22.356
flat angles P-C4'-P energy: -10.087
tors. eta vs tors. theta energy: -21.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -272.401714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.401714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.401714 (E_RNA)
where:
Base-Base interactions energy: -186.690
where: short stacking energy: -80.135
Base-Backbone interact. energy: 2.476
local terms energy: -88.187525
where:
bonds (distance) C4'-P energy: -14.317
bonds (distance) P-C4' energy: -16.413
flat angles C4'-P-C4' energy: -22.172
flat angles P-C4'-P energy: -12.685
tors. eta vs tors. theta energy: -22.601
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: 5
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -260.314906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.314906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.314906 (E_RNA)
where:
Base-Base interactions energy: -177.859
where: short stacking energy: -74.940
Base-Backbone interact. energy: 0.180
local terms energy: -82.635869
where:
bonds (distance) C4'-P energy: -20.646
bonds (distance) P-C4' energy: -19.744
flat angles C4'-P-C4' energy: -13.853
flat angles P-C4'-P energy: -13.173
tors. eta vs tors. theta energy: -15.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -189.698968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.698968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.698968 (E_RNA)
where:
Base-Base interactions energy: -102.287
where: short stacking energy: -58.260
Base-Backbone interact. energy: -0.122
local terms energy: -87.289349
where:
bonds (distance) C4'-P energy: -19.195
bonds (distance) P-C4' energy: -21.123
flat angles C4'-P-C4' energy: -20.294
flat angles P-C4'-P energy: -14.602
tors. eta vs tors. theta energy: -12.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -109.300539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.300539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.300539 (E_RNA)
where:
Base-Base interactions energy: -45.350
where: short stacking energy: -36.693
Base-Backbone interact. energy: 3.204
local terms energy: -67.154350
where:
bonds (distance) C4'-P energy: -18.447
bonds (distance) P-C4' energy: -17.821
flat angles C4'-P-C4' energy: -20.179
flat angles P-C4'-P energy: -13.208
tors. eta vs tors. theta energy: 2.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -174.866953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.866953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.866953 (E_RNA)
where:
Base-Base interactions energy: -96.361
where: short stacking energy: -57.500
Base-Backbone interact. energy: 0.014
local terms energy: -78.520757
where:
bonds (distance) C4'-P energy: -20.831
bonds (distance) P-C4' energy: -16.671
flat angles C4'-P-C4' energy: -21.617
flat angles P-C4'-P energy: -12.617
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: 9, replica: 6
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -131.320275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.320275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.320275 (E_RNA)
where:
Base-Base interactions energy: -60.740
where: short stacking energy: -41.663
Base-Backbone interact. energy: -0.596
local terms energy: -69.983622
where:
bonds (distance) C4'-P energy: -15.193
bonds (distance) P-C4' energy: -13.848
flat angles C4'-P-C4' energy: -21.583
flat angles P-C4'-P energy: -12.757
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: 10, replica: 1
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -102.670106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.670106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.670106 (E_RNA)
where:
Base-Base interactions energy: -31.759
where: short stacking energy: -29.645
Base-Backbone interact. energy: -0.159
local terms energy: -70.751751
where:
bonds (distance) C4'-P energy: -20.808
bonds (distance) P-C4' energy: -20.080
flat angles C4'-P-C4' energy: -12.619
flat angles P-C4'-P energy: -14.254
tors. eta vs tors. theta energy: -2.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -330.308800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.308800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.308800 (E_RNA)
where:
Base-Base interactions energy: -224.902
where: short stacking energy: -97.572
Base-Backbone interact. energy: -0.212
local terms energy: -105.194950
where:
bonds (distance) C4'-P energy: -17.926
bonds (distance) P-C4' energy: -20.717
flat angles C4'-P-C4' energy: -21.878
flat angles P-C4'-P energy: -14.253
tors. eta vs tors. theta energy: -30.421
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: 7
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -318.135881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.135881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.135881 (E_RNA)
where:
Base-Base interactions energy: -219.002
where: short stacking energy: -88.546
Base-Backbone interact. energy: -0.089
local terms energy: -99.045174
where:
bonds (distance) C4'-P energy: -15.914
bonds (distance) P-C4' energy: -24.833
flat angles C4'-P-C4' energy: -17.374
flat angles P-C4'-P energy: -14.412
tors. eta vs tors. theta energy: -26.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -300.341757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.341757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.341757 (E_RNA)
where:
Base-Base interactions energy: -207.390
where: short stacking energy: -80.841
Base-Backbone interact. energy: -1.378
local terms energy: -91.572957
where:
bonds (distance) C4'-P energy: -18.932
bonds (distance) P-C4' energy: -17.509
flat angles C4'-P-C4' energy: -22.625
flat angles P-C4'-P energy: -11.867
tors. eta vs tors. theta energy: -20.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -279.199804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.199804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.199804 (E_RNA)
where:
Base-Base interactions energy: -183.859
where: short stacking energy: -73.016
Base-Backbone interact. energy: -0.631
local terms energy: -94.709798
where:
bonds (distance) C4'-P energy: -21.399
bonds (distance) P-C4' energy: -19.482
flat angles C4'-P-C4' energy: -21.052
flat angles P-C4'-P energy: -13.770
tors. eta vs tors. theta energy: -19.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -248.395485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.395485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.395485 (E_RNA)
where:
Base-Base interactions energy: -169.009
where: short stacking energy: -76.630
Base-Backbone interact. energy: -0.112
local terms energy: -79.275066
where:
bonds (distance) C4'-P energy: -21.664
bonds (distance) P-C4' energy: -12.963
flat angles C4'-P-C4' energy: -17.342
flat angles P-C4'-P energy: -14.211
tors. eta vs tors. theta energy: -13.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -130.764786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.764786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.764786 (E_RNA)
where:
Base-Base interactions energy: -54.200
where: short stacking energy: -49.336
Base-Backbone interact. energy: -0.125
local terms energy: -76.440399
where:
bonds (distance) C4'-P energy: -17.242
bonds (distance) P-C4' energy: -19.467
flat angles C4'-P-C4' energy: -19.058
flat angles P-C4'-P energy: -15.445
tors. eta vs tors. theta energy: -5.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -177.554841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.554841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.554841 (E_RNA)
where:
Base-Base interactions energy: -105.373
where: short stacking energy: -65.207
Base-Backbone interact. energy: -0.358
local terms energy: -71.823015
where:
bonds (distance) C4'-P energy: -12.432
bonds (distance) P-C4' energy: -14.506
flat angles C4'-P-C4' energy: -18.711
flat angles P-C4'-P energy: -13.580
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: 8, replica: 6
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -118.819758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.819758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.819758 (E_RNA)
where:
Base-Base interactions energy: -46.999
where: short stacking energy: -38.898
Base-Backbone interact. energy: -0.022
local terms energy: -71.798808
where:
bonds (distance) C4'-P energy: -13.495
bonds (distance) P-C4' energy: -18.370
flat angles C4'-P-C4' energy: -21.109
flat angles P-C4'-P energy: -12.170
tors. eta vs tors. theta energy: -6.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -105.436863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.436863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.436863 (E_RNA)
where:
Base-Base interactions energy: -37.287
where: short stacking energy: -30.524
Base-Backbone interact. energy: 0.701
local terms energy: -68.851313
where:
bonds (distance) C4'-P energy: -9.362
bonds (distance) P-C4' energy: -15.839
flat angles C4'-P-C4' energy: -23.127
flat angles P-C4'-P energy: -15.875
tors. eta vs tors. theta energy: -4.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -108.764197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.764197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.764197 (E_RNA)
where:
Base-Base interactions energy: -45.899
where: short stacking energy: -41.574
Base-Backbone interact. energy: 1.408
local terms energy: -64.273244
where:
bonds (distance) C4'-P energy: -20.117
bonds (distance) P-C4' energy: -18.951
flat angles C4'-P-C4' energy: -14.938
flat angles P-C4'-P energy: -6.533
tors. eta vs tors. theta energy: -3.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -335.567922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.567922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.567922 (E_RNA)
where:
Base-Base interactions energy: -232.250
where: short stacking energy: -99.288
Base-Backbone interact. energy: -0.164
local terms energy: -103.153914
where:
bonds (distance) C4'-P energy: -19.430
bonds (distance) P-C4' energy: -21.954
flat angles C4'-P-C4' energy: -20.385
flat angles P-C4'-P energy: -16.768
tors. eta vs tors. theta energy: -24.616
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: 2, replica: 2
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -325.950440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.950440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.950440 (E_RNA)
where:
Base-Base interactions energy: -219.788
where: short stacking energy: -88.134
Base-Backbone interact. energy: -0.337
local terms energy: -105.826144
where:
bonds (distance) C4'-P energy: -20.899
bonds (distance) P-C4' energy: -21.375
flat angles C4'-P-C4' energy: -23.640
flat angles P-C4'-P energy: -14.251
tors. eta vs tors. theta energy: -25.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -285.023557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.023557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.023557 (E_RNA)
where:
Base-Base interactions energy: -200.515
where: short stacking energy: -81.654
Base-Backbone interact. energy: -1.523
local terms energy: -82.985642
where:
bonds (distance) C4'-P energy: -19.993
bonds (distance) P-C4' energy: -24.371
flat angles C4'-P-C4' energy: -15.588
flat angles P-C4'-P energy: -5.907
tors. eta vs tors. theta energy: -17.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -301.216496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.216496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.216496 (E_RNA)
where:
Base-Base interactions energy: -212.772
where: short stacking energy: -87.324
Base-Backbone interact. energy: -0.105
local terms energy: -88.340205
where:
bonds (distance) C4'-P energy: -20.666
bonds (distance) P-C4' energy: -17.943
flat angles C4'-P-C4' energy: -18.411
flat angles P-C4'-P energy: -8.019
tors. eta vs tors. theta energy: -23.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -273.031503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.031503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.031503 (E_RNA)
where:
Base-Base interactions energy: -185.065
where: short stacking energy: -70.694
Base-Backbone interact. energy: -0.149
local terms energy: -87.816570
where:
bonds (distance) C4'-P energy: -21.958
bonds (distance) P-C4' energy: -20.529
flat angles C4'-P-C4' energy: -22.145
flat angles P-C4'-P energy: -5.632
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: 6, replica: 9
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -153.998257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.998257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.998257 (E_RNA)
where:
Base-Base interactions energy: -79.576
where: short stacking energy: -57.630
Base-Backbone interact. energy: 1.494
local terms energy: -75.916229
where:
bonds (distance) C4'-P energy: -16.445
bonds (distance) P-C4' energy: -16.423
flat angles C4'-P-C4' energy: -17.737
flat angles P-C4'-P energy: -15.844
tors. eta vs tors. theta energy: -9.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -157.290084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.290084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.290084 (E_RNA)
where:
Base-Base interactions energy: -85.581
where: short stacking energy: -43.124
Base-Backbone interact. energy: 2.883
local terms energy: -74.592339
where:
bonds (distance) C4'-P energy: -20.978
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -20.567
flat angles P-C4'-P energy: -11.908
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: 8, replica: 6
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -116.797644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.797644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.797644 (E_RNA)
where:
Base-Base interactions energy: -51.330
where: short stacking energy: -46.649
Base-Backbone interact. energy: -0.096
local terms energy: -65.371713
where:
bonds (distance) C4'-P energy: -17.884
bonds (distance) P-C4' energy: -14.254
flat angles C4'-P-C4' energy: -12.738
flat angles P-C4'-P energy: -11.973
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: 9, replica: 1
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -110.930122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.930122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.930122 (E_RNA)
where:
Base-Base interactions energy: -42.906
where: short stacking energy: -42.572
Base-Backbone interact. energy: -0.115
local terms energy: -67.908869
where:
bonds (distance) C4'-P energy: -14.598
bonds (distance) P-C4' energy: -18.019
flat angles C4'-P-C4' energy: -14.457
flat angles P-C4'-P energy: -12.865
tors. eta vs tors. theta energy: -7.970
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: 4
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -98.135093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.135093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.135093 (E_RNA)
where:
Base-Base interactions energy: -32.452
where: short stacking energy: -30.990
Base-Backbone interact. energy: -0.073
local terms energy: -65.610148
where:
bonds (distance) C4'-P energy: -23.325
bonds (distance) P-C4' energy: -16.538
flat angles C4'-P-C4' energy: -9.445
flat angles P-C4'-P energy: -10.140
tors. eta vs tors. theta energy: -6.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -333.593321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.593321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.593321 (E_RNA)
where:
Base-Base interactions energy: -232.440
where: short stacking energy: -96.009
Base-Backbone interact. energy: -0.764
local terms energy: -100.389022
where:
bonds (distance) C4'-P energy: -19.641
bonds (distance) P-C4' energy: -23.116
flat angles C4'-P-C4' energy: -17.297
flat angles P-C4'-P energy: -14.643
tors. eta vs tors. theta energy: -25.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -319.378295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.378295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.378295 (E_RNA)
where:
Base-Base interactions energy: -215.338
where: short stacking energy: -89.320
Base-Backbone interact. energy: -0.136
local terms energy: -103.904437
where:
bonds (distance) C4'-P energy: -20.228
bonds (distance) P-C4' energy: -23.722
flat angles C4'-P-C4' energy: -21.187
flat angles P-C4'-P energy: -14.642
tors. eta vs tors. theta energy: -24.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -300.681791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.681791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.681791 (E_RNA)
where:
Base-Base interactions energy: -206.182
where: short stacking energy: -87.353
Base-Backbone interact. energy: 0.565
local terms energy: -95.064867
where:
bonds (distance) C4'-P energy: -20.091
bonds (distance) P-C4' energy: -20.530
flat angles C4'-P-C4' energy: -21.388
flat angles P-C4'-P energy: -11.542
tors. eta vs tors. theta energy: -21.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -293.425515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.425515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.425515 (E_RNA)
where:
Base-Base interactions energy: -204.593
where: short stacking energy: -78.891
Base-Backbone interact. energy: -0.475
local terms energy: -88.357633
where:
bonds (distance) C4'-P energy: -18.650
bonds (distance) P-C4' energy: -21.106
flat angles C4'-P-C4' energy: -19.745
flat angles P-C4'-P energy: -11.572
tors. eta vs tors. theta energy: -17.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -291.718093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.718093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.718093 (E_RNA)
where:
Base-Base interactions energy: -210.328
where: short stacking energy: -73.342
Base-Backbone interact. energy: -0.367
local terms energy: -81.023231
where:
bonds (distance) C4'-P energy: -11.733
bonds (distance) P-C4' energy: -21.597
flat angles C4'-P-C4' energy: -19.228
flat angles P-C4'-P energy: -9.715
tors. eta vs tors. theta energy: -18.751
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: 6, replica: 8
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -196.348357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.348357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.348357 (E_RNA)
where:
Base-Base interactions energy: -107.768
where: short stacking energy: -64.404
Base-Backbone interact. energy: -0.083
local terms energy: -88.497085
where:
bonds (distance) C4'-P energy: -14.776
bonds (distance) P-C4' energy: -22.318
flat angles C4'-P-C4' energy: -16.813
flat angles P-C4'-P energy: -14.628
tors. eta vs tors. theta energy: -19.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -123.095486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.095486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.095486 (E_RNA)
where:
Base-Base interactions energy: -50.137
where: short stacking energy: -44.737
Base-Backbone interact. energy: -0.308
local terms energy: -72.650862
where:
bonds (distance) C4'-P energy: -16.045
bonds (distance) P-C4' energy: -22.172
flat angles C4'-P-C4' energy: -14.866
flat angles P-C4'-P energy: -14.254
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: 8, replica: 1
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -127.250468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.250468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.250468 (E_RNA)
where:
Base-Base interactions energy: -59.730
where: short stacking energy: -53.713
Base-Backbone interact. energy: -0.240
local terms energy: -67.280234
where:
bonds (distance) C4'-P energy: -18.156
bonds (distance) P-C4' energy: -18.031
flat angles C4'-P-C4' energy: -8.362
flat angles P-C4'-P energy: -8.244
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: 9, replica: 6
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -95.962407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.962407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.962407 (E_RNA)
where:
Base-Base interactions energy: -31.763
where: short stacking energy: -30.595
Base-Backbone interact. energy: -0.167
local terms energy: -64.032994
where:
bonds (distance) C4'-P energy: -17.155
bonds (distance) P-C4' energy: -16.215
flat angles C4'-P-C4' energy: -18.047
flat angles P-C4'-P energy: -7.091
tors. eta vs tors. theta energy: -5.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -99.113394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.113394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.113394 (E_RNA)
where:
Base-Base interactions energy: -38.780
where: short stacking energy: -32.737
Base-Backbone interact. energy: 3.064
local terms energy: -63.397643
where:
bonds (distance) C4'-P energy: -19.817
bonds (distance) P-C4' energy: -19.761
flat angles C4'-P-C4' energy: -9.940
flat angles P-C4'-P energy: -10.850
tors. eta vs tors. theta energy: -3.030
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: 2
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -327.389976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.389976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.389976 (E_RNA)
where:
Base-Base interactions energy: -226.516
where: short stacking energy: -89.395
Base-Backbone interact. energy: -0.630
local terms energy: -100.244082
where:
bonds (distance) C4'-P energy: -23.366
bonds (distance) P-C4' energy: -17.696
flat angles C4'-P-C4' energy: -21.798
flat angles P-C4'-P energy: -12.638
tors. eta vs tors. theta energy: -24.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -323.085142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.085142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.085142 (E_RNA)
where:
Base-Base interactions energy: -224.440
where: short stacking energy: -87.677
Base-Backbone interact. energy: -0.073
local terms energy: -98.572418
where:
bonds (distance) C4'-P energy: -18.734
bonds (distance) P-C4' energy: -15.912
flat angles C4'-P-C4' energy: -22.962
flat angles P-C4'-P energy: -15.702
tors. eta vs tors. theta energy: -25.262
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: 5
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -291.945018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.945018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.945018 (E_RNA)
where:
Base-Base interactions energy: -201.270
where: short stacking energy: -83.931
Base-Backbone interact. energy: -0.420
local terms energy: -90.255636
where:
bonds (distance) C4'-P energy: -21.271
bonds (distance) P-C4' energy: -21.544
flat angles C4'-P-C4' energy: -15.389
flat angles P-C4'-P energy: -13.289
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: 4, replica: 3
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -287.316216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.316216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.316216 (E_RNA)
where:
Base-Base interactions energy: -199.191
where: short stacking energy: -77.094
Base-Backbone interact. energy: -0.194
local terms energy: -87.931347
where:
bonds (distance) C4'-P energy: -17.930
bonds (distance) P-C4' energy: -19.262
flat angles C4'-P-C4' energy: -18.790
flat angles P-C4'-P energy: -14.345
tors. eta vs tors. theta energy: -17.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -182.808870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.808870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.808870 (E_RNA)
where:
Base-Base interactions energy: -107.691
where: short stacking energy: -58.738
Base-Backbone interact. energy: -2.037
local terms energy: -73.080671
where:
bonds (distance) C4'-P energy: -16.352
bonds (distance) P-C4' energy: -12.594
flat angles C4'-P-C4' energy: -21.573
flat angles P-C4'-P energy: -13.027
tors. eta vs tors. theta energy: -9.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -263.030667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.030667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.030667 (E_RNA)
where:
Base-Base interactions energy: -176.136
where: short stacking energy: -71.097
Base-Backbone interact. energy: 0.124
local terms energy: -87.018662
where:
bonds (distance) C4'-P energy: -21.482
bonds (distance) P-C4' energy: -20.404
flat angles C4'-P-C4' energy: -20.279
flat angles P-C4'-P energy: -6.591
tors. eta vs tors. theta energy: -18.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -117.622948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.622948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.622948 (E_RNA)
where:
Base-Base interactions energy: -50.005
where: short stacking energy: -31.848
Base-Backbone interact. energy: -0.492
local terms energy: -67.126574
where:
bonds (distance) C4'-P energy: -13.404
bonds (distance) P-C4' energy: -22.892
flat angles C4'-P-C4' energy: -15.622
flat angles P-C4'-P energy: -8.200
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: 9
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -127.522501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.522501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.522501 (E_RNA)
where:
Base-Base interactions energy: -56.017
where: short stacking energy: -35.256
Base-Backbone interact. energy: 0.287
local terms energy: -71.792606
where:
bonds (distance) C4'-P energy: -16.080
bonds (distance) P-C4' energy: -22.420
flat angles C4'-P-C4' energy: -14.895
flat angles P-C4'-P energy: -12.384
tors. eta vs tors. theta energy: -6.014
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: 4
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -114.621759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.621759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.621759 (E_RNA)
where:
Base-Base interactions energy: -49.157
where: short stacking energy: -38.224
Base-Backbone interact. energy: -0.850
local terms energy: -64.614378
where:
bonds (distance) C4'-P energy: -15.458
bonds (distance) P-C4' energy: -16.926
flat angles C4'-P-C4' energy: -13.779
flat angles P-C4'-P energy: -14.861
tors. eta vs tors. theta energy: -3.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -106.970936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.970936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.970936 (E_RNA)
where:
Base-Base interactions energy: -53.044
where: short stacking energy: -37.776
Base-Backbone interact. energy: -0.072
local terms energy: -53.854957
where:
bonds (distance) C4'-P energy: -9.368
bonds (distance) P-C4' energy: -20.896
flat angles C4'-P-C4' energy: -11.466
flat angles P-C4'-P energy: -8.806
tors. eta vs tors. theta energy: -3.319
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: 157
Temperature: 0.900000
Total energy: -327.837098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.837098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.837098 (E_RNA)
where:
Base-Base interactions energy: -224.069
where: short stacking energy: -95.080
Base-Backbone interact. energy: -0.621
local terms energy: -103.147889
where:
bonds (distance) C4'-P energy: -18.820
bonds (distance) P-C4' energy: -18.968
flat angles C4'-P-C4' energy: -22.800
flat angles P-C4'-P energy: -17.544
tors. eta vs tors. theta energy: -25.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -308.035967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.035967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.035967 (E_RNA)
where:
Base-Base interactions energy: -213.807
where: short stacking energy: -92.154
Base-Backbone interact. energy: -0.902
local terms energy: -93.326259
where:
bonds (distance) C4'-P energy: -19.665
bonds (distance) P-C4' energy: -20.678
flat angles C4'-P-C4' energy: -21.143
flat angles P-C4'-P energy: -12.746
tors. eta vs tors. theta energy: -19.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -316.317793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.317793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.317793 (E_RNA)
where:
Base-Base interactions energy: -220.247
where: short stacking energy: -89.899
Base-Backbone interact. energy: -0.054
local terms energy: -96.017171
where:
bonds (distance) C4'-P energy: -16.759
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -22.807
flat angles P-C4'-P energy: -15.380
tors. eta vs tors. theta energy: -25.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -276.656172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.656172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.656172 (E_RNA)
where:
Base-Base interactions energy: -184.809
where: short stacking energy: -80.159
Base-Backbone interact. energy: -0.021
local terms energy: -91.825823
where:
bonds (distance) C4'-P energy: -20.563
bonds (distance) P-C4' energy: -17.371
flat angles C4'-P-C4' energy: -14.048
flat angles P-C4'-P energy: -19.018
tors. eta vs tors. theta energy: -20.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -227.653843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.653843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.653843 (E_RNA)
where:
Base-Base interactions energy: -139.520
where: short stacking energy: -79.450
Base-Backbone interact. energy: 0.212
local terms energy: -88.346816
where:
bonds (distance) C4'-P energy: -15.961
bonds (distance) P-C4' energy: -16.553
flat angles C4'-P-C4' energy: -21.442
flat angles P-C4'-P energy: -13.588
tors. eta vs tors. theta energy: -20.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -265.552416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.552416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.552416 (E_RNA)
where:
Base-Base interactions energy: -176.984
where: short stacking energy: -75.288
Base-Backbone interact. energy: -0.314
local terms energy: -88.254273
where:
bonds (distance) C4'-P energy: -18.304
bonds (distance) P-C4' energy: -18.331
flat angles C4'-P-C4' energy: -18.016
flat angles P-C4'-P energy: -10.988
tors. eta vs tors. theta energy: -22.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -133.993062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.993062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.993062 (E_RNA)
where:
Base-Base interactions energy: -64.854
where: short stacking energy: -47.869
Base-Backbone interact. energy: -0.248
local terms energy: -68.890859
where:
bonds (distance) C4'-P energy: -13.578
bonds (distance) P-C4' energy: -14.588
flat angles C4'-P-C4' energy: -18.617
flat angles P-C4'-P energy: -15.000
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: 4
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -105.844204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.844204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.844204 (E_RNA)
where:
Base-Base interactions energy: -38.006
where: short stacking energy: -31.954
Base-Backbone interact. energy: -0.229
local terms energy: -67.609341
where:
bonds (distance) C4'-P energy: -21.766
bonds (distance) P-C4' energy: -15.558
flat angles C4'-P-C4' energy: -16.969
flat angles P-C4'-P energy: -12.342
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: 9, replica: 9
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -95.195514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.195514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.195514 (E_RNA)
where:
Base-Base interactions energy: -27.124
where: short stacking energy: -27.124
Base-Backbone interact. energy: 0.268
local terms energy: -68.339869
where:
bonds (distance) C4'-P energy: -16.406
bonds (distance) P-C4' energy: -18.871
flat angles C4'-P-C4' energy: -18.469
flat angles P-C4'-P energy: -10.782
tors. eta vs tors. theta energy: -3.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -102.578503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.578503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.578503 (E_RNA)
where:
Base-Base interactions energy: -35.165
where: short stacking energy: -34.439
Base-Backbone interact. energy: 0.432
local terms energy: -67.846064
where:
bonds (distance) C4'-P energy: -21.217
bonds (distance) P-C4' energy: -18.957
flat angles C4'-P-C4' energy: -13.155
flat angles P-C4'-P energy: -13.102
tors. eta vs tors. theta energy: -1.414
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: 1, replica: 2
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -321.454456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.454456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.454456 (E_RNA)
where:
Base-Base interactions energy: -219.136
where: short stacking energy: -91.718
Base-Backbone interact. energy: -0.904
local terms energy: -101.414340
where:
bonds (distance) C4'-P energy: -18.223
bonds (distance) P-C4' energy: -22.490
flat angles C4'-P-C4' energy: -19.744
flat angles P-C4'-P energy: -14.426
tors. eta vs tors. theta energy: -26.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -308.187126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.187126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.187126 (E_RNA)
where:
Base-Base interactions energy: -216.552
where: short stacking energy: -87.690
Base-Backbone interact. energy: -0.021
local terms energy: -91.614716
where:
bonds (distance) C4'-P energy: -21.251
bonds (distance) P-C4' energy: -17.127
flat angles C4'-P-C4' energy: -21.483
flat angles P-C4'-P energy: -9.661
tors. eta vs tors. theta energy: -22.093
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: 3, replica: 7
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -317.174551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.174551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.174551 (E_RNA)
where:
Base-Base interactions energy: -220.750
where: short stacking energy: -90.291
Base-Backbone interact. energy: -0.202
local terms energy: -96.221966
where:
bonds (distance) C4'-P energy: -19.438
bonds (distance) P-C4' energy: -17.282
flat angles C4'-P-C4' energy: -21.997
flat angles P-C4'-P energy: -10.658
tors. eta vs tors. theta energy: -26.847
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: 3
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -277.764366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.764366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.764366 (E_RNA)
where:
Base-Base interactions energy: -189.022
where: short stacking energy: -86.191
Base-Backbone interact. energy: -0.011
local terms energy: -88.731401
where:
bonds (distance) C4'-P energy: -21.101
bonds (distance) P-C4' energy: -13.840
flat angles C4'-P-C4' energy: -19.146
flat angles P-C4'-P energy: -13.247
tors. eta vs tors. theta energy: -21.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -272.642638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.642638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.642638 (E_RNA)
where:
Base-Base interactions energy: -186.934
where: short stacking energy: -74.835
Base-Backbone interact. energy: -0.123
local terms energy: -85.585904
where:
bonds (distance) C4'-P energy: -12.673
bonds (distance) P-C4' energy: -19.845
flat angles C4'-P-C4' energy: -22.324
flat angles P-C4'-P energy: -13.683
tors. eta vs tors. theta energy: -17.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -194.141087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.141087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.141087 (E_RNA)
where:
Base-Base interactions energy: -118.672
where: short stacking energy: -56.571
Base-Backbone interact. energy: -0.586
local terms energy: -74.882989
where:
bonds (distance) C4'-P energy: -13.021
bonds (distance) P-C4' energy: -19.801
flat angles C4'-P-C4' energy: -15.688
flat angles P-C4'-P energy: -13.644
tors. eta vs tors. theta energy: -12.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -117.876495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.876495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.876495 (E_RNA)
where:
Base-Base interactions energy: -60.559
where: short stacking energy: -44.604
Base-Backbone interact. energy: -0.219
local terms energy: -57.098932
where:
bonds (distance) C4'-P energy: -14.253
bonds (distance) P-C4' energy: -20.118
flat angles C4'-P-C4' energy: -9.275
flat angles P-C4'-P energy: -12.868
tors. eta vs tors. theta energy: -0.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -122.006264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.006264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.006264 (E_RNA)
where:
Base-Base interactions energy: -57.553
where: short stacking energy: -37.566
Base-Backbone interact. energy: -0.497
local terms energy: -63.956235
where:
bonds (distance) C4'-P energy: -22.264
bonds (distance) P-C4' energy: -15.770
flat angles C4'-P-C4' energy: -13.666
flat angles P-C4'-P energy: -13.294
tors. eta vs tors. theta energy: 1.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -105.322535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.322535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.322535 (E_RNA)
where:
Base-Base interactions energy: -43.199
where: short stacking energy: -43.605
Base-Backbone interact. energy: 0.106
local terms energy: -62.230031
where:
bonds (distance) C4'-P energy: -18.436
bonds (distance) P-C4' energy: -13.639
flat angles C4'-P-C4' energy: -12.122
flat angles P-C4'-P energy: -12.244
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: 10, replica: 6
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -101.624276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.624276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.624276 (E_RNA)
where:
Base-Base interactions energy: -35.419
where: short stacking energy: -26.560
Base-Backbone interact. energy: -0.289
local terms energy: -65.916458
where:
bonds (distance) C4'-P energy: -14.709
bonds (distance) P-C4' energy: -18.605
flat angles C4'-P-C4' energy: -20.046
flat angles P-C4'-P energy: -12.422
tors. eta vs tors. theta energy: -0.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -337.039384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.039384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.039384 (E_RNA)
where:
Base-Base interactions energy: -227.586
where: short stacking energy: -99.692
Base-Backbone interact. energy: -0.773
local terms energy: -108.680688
where:
bonds (distance) C4'-P energy: -18.957
bonds (distance) P-C4' energy: -23.913
flat angles C4'-P-C4' energy: -21.821
flat angles P-C4'-P energy: -13.673
tors. eta vs tors. theta energy: -30.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -326.815667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.815667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.815667 (E_RNA)
where:
Base-Base interactions energy: -222.584
where: short stacking energy: -94.232
Base-Backbone interact. energy: -0.112
local terms energy: -104.119699
where:
bonds (distance) C4'-P energy: -22.281
bonds (distance) P-C4' energy: -18.950
flat angles C4'-P-C4' energy: -22.873
flat angles P-C4'-P energy: -17.212
tors. eta vs tors. theta energy: -22.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -288.975015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.975015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.975015 (E_RNA)
where:
Base-Base interactions energy: -200.305
where: short stacking energy: -80.788
Base-Backbone interact. energy: -0.809
local terms energy: -87.860939
where:
bonds (distance) C4'-P energy: -14.598
bonds (distance) P-C4' energy: -20.425
flat angles C4'-P-C4' energy: -16.194
flat angles P-C4'-P energy: -16.040
tors. eta vs tors. theta energy: -20.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -287.240620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.240620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.240620 (E_RNA)
where:
Base-Base interactions energy: -198.163
where: short stacking energy: -74.749
Base-Backbone interact. energy: 1.746
local terms energy: -90.824216
where:
bonds (distance) C4'-P energy: -19.300
bonds (distance) P-C4' energy: -17.123
flat angles C4'-P-C4' energy: -22.985
flat angles P-C4'-P energy: -9.036
tors. eta vs tors. theta energy: -22.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -287.961607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.961607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.961607 (E_RNA)
where:
Base-Base interactions energy: -208.566
where: short stacking energy: -77.842
Base-Backbone interact. energy: -0.096
local terms energy: -79.299425
where:
bonds (distance) C4'-P energy: -16.135
bonds (distance) P-C4' energy: -16.194
flat angles C4'-P-C4' energy: -20.147
flat angles P-C4'-P energy: -10.279
tors. eta vs tors. theta energy: -16.545
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: 1
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -149.561192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.561192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.561192 (E_RNA)
where:
Base-Base interactions energy: -71.519
where: short stacking energy: -53.828
Base-Backbone interact. energy: -0.485
local terms energy: -77.556933
where:
bonds (distance) C4'-P energy: -15.781
bonds (distance) P-C4' energy: -21.519
flat angles C4'-P-C4' energy: -20.196
flat angles P-C4'-P energy: -11.628
tors. eta vs tors. theta energy: -8.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -124.840336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.840336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.840336 (E_RNA)
where:
Base-Base interactions energy: -48.478
where: short stacking energy: -37.624
Base-Backbone interact. energy: -0.183
local terms energy: -76.179141
where:
bonds (distance) C4'-P energy: -15.348
bonds (distance) P-C4' energy: -22.942
flat angles C4'-P-C4' energy: -17.696
flat angles P-C4'-P energy: -12.561
tors. eta vs tors. theta energy: -7.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -120.489952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.489952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.489952 (E_RNA)
where:
Base-Base interactions energy: -45.253
where: short stacking energy: -45.253
Base-Backbone interact. energy: -1.149
local terms energy: -74.088154
where:
bonds (distance) C4'-P energy: -18.935
bonds (distance) P-C4' energy: -17.739
flat angles C4'-P-C4' energy: -18.647
flat angles P-C4'-P energy: -9.587
tors. eta vs tors. theta energy: -9.180
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: 9, replica: 4
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -119.888439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.888439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.888439 (E_RNA)
where:
Base-Base interactions energy: -49.538
where: short stacking energy: -43.295
Base-Backbone interact. energy: -0.411
local terms energy: -69.938746
where:
bonds (distance) C4'-P energy: -13.443
bonds (distance) P-C4' energy: -15.148
flat angles C4'-P-C4' energy: -20.193
flat angles P-C4'-P energy: -12.382
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: 10, replica: 6
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -88.373986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.373986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.373986 (E_RNA)
where:
Base-Base interactions energy: -18.331
where: short stacking energy: -17.049
Base-Backbone interact. energy: 0.411
local terms energy: -70.454331
where:
bonds (distance) C4'-P energy: -19.289
bonds (distance) P-C4' energy: -17.312
flat angles C4'-P-C4' energy: -21.081
flat angles P-C4'-P energy: -11.445
tors. eta vs tors. theta energy: -1.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -321.137342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.137342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.137342 (E_RNA)
where:
Base-Base interactions energy: -211.960
where: short stacking energy: -93.833
Base-Backbone interact. energy: 1.760
local terms energy: -110.937042
where:
bonds (distance) C4'-P energy: -23.766
bonds (distance) P-C4' energy: -22.889
flat angles C4'-P-C4' energy: -21.194
flat angles P-C4'-P energy: -17.522
tors. eta vs tors. theta energy: -25.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -323.479758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.479758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.479758 (E_RNA)
where:
Base-Base interactions energy: -222.735
where: short stacking energy: -93.856
Base-Backbone interact. energy: -0.069
local terms energy: -100.675638
where:
bonds (distance) C4'-P energy: -14.958
bonds (distance) P-C4' energy: -22.249
flat angles C4'-P-C4' energy: -20.547
flat angles P-C4'-P energy: -17.478
tors. eta vs tors. theta energy: -25.444
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: 3, replica: 5
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -285.099663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.099663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.099663 (E_RNA)
where:
Base-Base interactions energy: -188.698
where: short stacking energy: -65.945
Base-Backbone interact. energy: -0.940
local terms energy: -95.461229
where:
bonds (distance) C4'-P energy: -17.511
bonds (distance) P-C4' energy: -19.044
flat angles C4'-P-C4' energy: -24.296
flat angles P-C4'-P energy: -14.152
tors. eta vs tors. theta energy: -20.459
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: 10
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -281.052074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.052074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.052074 (E_RNA)
where:
Base-Base interactions energy: -199.275
where: short stacking energy: -86.580
Base-Backbone interact. energy: 1.368
local terms energy: -83.145450
where:
bonds (distance) C4'-P energy: -17.876
bonds (distance) P-C4' energy: -10.696
flat angles C4'-P-C4' energy: -18.211
flat angles P-C4'-P energy: -15.586
tors. eta vs tors. theta energy: -20.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -267.046801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.046801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.046801 (E_RNA)
where:
Base-Base interactions energy: -175.804
where: short stacking energy: -73.287
Base-Backbone interact. energy: -0.159
local terms energy: -91.083309
where:
bonds (distance) C4'-P energy: -18.190
bonds (distance) P-C4' energy: -21.754
flat angles C4'-P-C4' energy: -23.698
flat angles P-C4'-P energy: -12.509
tors. eta vs tors. theta energy: -14.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -150.603558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.603558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.603558 (E_RNA)
where:
Base-Base interactions energy: -66.007
where: short stacking energy: -58.657
Base-Backbone interact. energy: 0.422
local terms energy: -85.018926
where:
bonds (distance) C4'-P energy: -18.361
bonds (distance) P-C4' energy: -20.362
flat angles C4'-P-C4' energy: -22.242
flat angles P-C4'-P energy: -12.557
tors. eta vs tors. theta energy: -11.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -142.815929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.815929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.815929 (E_RNA)
where:
Base-Base interactions energy: -57.377
where: short stacking energy: -56.580
Base-Backbone interact. energy: -0.104
local terms energy: -85.335446
where:
bonds (distance) C4'-P energy: -20.405
bonds (distance) P-C4' energy: -21.486
flat angles C4'-P-C4' energy: -20.969
flat angles P-C4'-P energy: -7.151
tors. eta vs tors. theta energy: -15.325
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: 8
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -105.139272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.139272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.139272 (E_RNA)
where:
Base-Base interactions energy: -35.008
where: short stacking energy: -34.769
Base-Backbone interact. energy: -0.265
local terms energy: -69.865826
where:
bonds (distance) C4'-P energy: -14.886
bonds (distance) P-C4' energy: -19.180
flat angles C4'-P-C4' energy: -17.809
flat angles P-C4'-P energy: -11.523
tors. eta vs tors. theta energy: -6.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -104.389031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.389031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.389031 (E_RNA)
where:
Base-Base interactions energy: -37.537
where: short stacking energy: -37.537
Base-Backbone interact. energy: -0.464
local terms energy: -66.387978
where:
bonds (distance) C4'-P energy: -20.005
bonds (distance) P-C4' energy: -18.238
flat angles C4'-P-C4' energy: -18.730
flat angles P-C4'-P energy: -5.856
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: 10, replica: 4
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -103.488222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.488222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.488222 (E_RNA)
where:
Base-Base interactions energy: -41.437
where: short stacking energy: -37.252
Base-Backbone interact. energy: -0.325
local terms energy: -61.725894
where:
bonds (distance) C4'-P energy: -16.137
bonds (distance) P-C4' energy: -15.146
flat angles C4'-P-C4' energy: -12.443
flat angles P-C4'-P energy: -13.157
tors. eta vs tors. theta energy: -4.843
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: 2
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -338.458336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.458336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.458336 (E_RNA)
where:
Base-Base interactions energy: -228.797
where: short stacking energy: -100.045
Base-Backbone interact. energy: -1.443
local terms energy: -108.218383
where:
bonds (distance) C4'-P energy: -18.296
bonds (distance) P-C4' energy: -24.572
flat angles C4'-P-C4' energy: -23.178
flat angles P-C4'-P energy: -15.765
tors. eta vs tors. theta energy: -26.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -322.191328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.191328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.191328 (E_RNA)
where:
Base-Base interactions energy: -218.351
where: short stacking energy: -101.560
Base-Backbone interact. energy: 2.194
local terms energy: -106.034847
where:
bonds (distance) C4'-P energy: -21.510
bonds (distance) P-C4' energy: -20.105
flat angles C4'-P-C4' energy: -19.954
flat angles P-C4'-P energy: -16.699
tors. eta vs tors. theta energy: -27.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -294.502776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.502776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.502776 (E_RNA)
where:
Base-Base interactions energy: -205.912
where: short stacking energy: -79.846
Base-Backbone interact. energy: -0.374
local terms energy: -88.215934
where:
bonds (distance) C4'-P energy: -17.147
bonds (distance) P-C4' energy: -18.579
flat angles C4'-P-C4' energy: -18.496
flat angles P-C4'-P energy: -8.657
tors. eta vs tors. theta energy: -25.337
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: 4, replica: 10
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -287.764383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.764383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.764383 (E_RNA)
where:
Base-Base interactions energy: -200.564
where: short stacking energy: -80.551
Base-Backbone interact. energy: -0.553
local terms energy: -86.646903
where:
bonds (distance) C4'-P energy: -15.463
bonds (distance) P-C4' energy: -22.548
flat angles C4'-P-C4' energy: -21.090
flat angles P-C4'-P energy: -9.296
tors. eta vs tors. theta energy: -18.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -266.758108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.758108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.758108 (E_RNA)
where:
Base-Base interactions energy: -180.197
where: short stacking energy: -73.627
Base-Backbone interact. energy: -0.458
local terms energy: -86.103562
where:
bonds (distance) C4'-P energy: -19.909
bonds (distance) P-C4' energy: -21.052
flat angles C4'-P-C4' energy: -15.142
flat angles P-C4'-P energy: -7.082
tors. eta vs tors. theta energy: -22.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -145.918491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.918491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.918491 (E_RNA)
where:
Base-Base interactions energy: -73.082
where: short stacking energy: -44.113
Base-Backbone interact. energy: -0.312
local terms energy: -72.524114
where:
bonds (distance) C4'-P energy: -18.353
bonds (distance) P-C4' energy: -18.602
flat angles C4'-P-C4' energy: -17.362
flat angles P-C4'-P energy: -13.329
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: 7, replica: 1
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -115.216562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.216562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.216562 (E_RNA)
where:
Base-Base interactions energy: -49.126
where: short stacking energy: -44.527
Base-Backbone interact. energy: -0.151
local terms energy: -65.939497
where:
bonds (distance) C4'-P energy: -19.318
bonds (distance) P-C4' energy: -19.150
flat angles C4'-P-C4' energy: -13.670
flat angles P-C4'-P energy: -13.311
tors. eta vs tors. theta energy: -0.491
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: 6
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -128.100035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.100035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.100035 (E_RNA)
where:
Base-Base interactions energy: -69.367
where: short stacking energy: -35.336
Base-Backbone interact. energy: -0.159
local terms energy: -58.573851
where:
bonds (distance) C4'-P energy: -16.134
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -21.764
flat angles P-C4'-P energy: -8.871
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: 8
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -111.936244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.936244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.936244 (E_RNA)
where:
Base-Base interactions energy: -58.624
where: short stacking energy: -33.384
Base-Backbone interact. energy: 0.719
local terms energy: -54.031792
where:
bonds (distance) C4'-P energy: -13.525
bonds (distance) P-C4' energy: -22.648
flat angles C4'-P-C4' energy: -11.627
flat angles P-C4'-P energy: -8.737
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: 161
Temperature: 1.350000
Total energy: -104.505820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.505820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.505820 (E_RNA)
where:
Base-Base interactions energy: -42.606
where: short stacking energy: -34.990
Base-Backbone interact. energy: -0.209
local terms energy: -61.690295
where:
bonds (distance) C4'-P energy: -12.563
bonds (distance) P-C4' energy: -19.810
flat angles C4'-P-C4' energy: -15.757
flat angles P-C4'-P energy: -12.365
tors. eta vs tors. theta energy: -1.196
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: 2
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -335.982208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.982208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.982208 (E_RNA)
where:
Base-Base interactions energy: -226.779
where: short stacking energy: -103.968
Base-Backbone interact. energy: -0.179
local terms energy: -109.024664
where:
bonds (distance) C4'-P energy: -19.622
bonds (distance) P-C4' energy: -22.705
flat angles C4'-P-C4' energy: -20.862
flat angles P-C4'-P energy: -16.482
tors. eta vs tors. theta energy: -29.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -334.564183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.564183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.564183 (E_RNA)
where:
Base-Base interactions energy: -227.522
where: short stacking energy: -93.006
Base-Backbone interact. energy: -0.110
local terms energy: -106.931952
where:
bonds (distance) C4'-P energy: -19.354
bonds (distance) P-C4' energy: -20.686
flat angles C4'-P-C4' energy: -24.796
flat angles P-C4'-P energy: -15.435
tors. eta vs tors. theta energy: -26.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -303.177318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.177318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.177318 (E_RNA)
where:
Base-Base interactions energy: -209.009
where: short stacking energy: -87.821
Base-Backbone interact. energy: -0.328
local terms energy: -93.840428
where:
bonds (distance) C4'-P energy: -20.692
bonds (distance) P-C4' energy: -21.236
flat angles C4'-P-C4' energy: -19.045
flat angles P-C4'-P energy: -9.300
tors. eta vs tors. theta energy: -23.567
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: 5
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -278.247754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.247754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.247754 (E_RNA)
where:
Base-Base interactions energy: -187.344
where: short stacking energy: -79.930
Base-Backbone interact. energy: 0.663
local terms energy: -91.566810
where:
bonds (distance) C4'-P energy: -15.653
bonds (distance) P-C4' energy: -22.219
flat angles C4'-P-C4' energy: -17.609
flat angles P-C4'-P energy: -11.107
tors. eta vs tors. theta energy: -24.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -283.435394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.435394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.435394 (E_RNA)
where:
Base-Base interactions energy: -190.647
where: short stacking energy: -67.839
Base-Backbone interact. energy: -0.109
local terms energy: -92.679494
where:
bonds (distance) C4'-P energy: -16.245
bonds (distance) P-C4' energy: -22.751
flat angles C4'-P-C4' energy: -20.309
flat angles P-C4'-P energy: -14.169
tors. eta vs tors. theta energy: -19.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -157.042136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.042136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.042136 (E_RNA)
where:
Base-Base interactions energy: -84.442
where: short stacking energy: -39.019
Base-Backbone interact. energy: 0.268
local terms energy: -72.867311
where:
bonds (distance) C4'-P energy: -14.331
bonds (distance) P-C4' energy: -23.643
flat angles C4'-P-C4' energy: -18.830
flat angles P-C4'-P energy: -13.247
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: 7, replica: 1
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -125.031875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.031875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.031875 (E_RNA)
where:
Base-Base interactions energy: -49.103
where: short stacking energy: -37.010
Base-Backbone interact. energy: -0.273
local terms energy: -75.655117
where:
bonds (distance) C4'-P energy: -15.951
bonds (distance) P-C4' energy: -20.195
flat angles C4'-P-C4' energy: -23.926
flat angles P-C4'-P energy: -8.958
tors. eta vs tors. theta energy: -6.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -164.530135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.530135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.530135 (E_RNA)
where:
Base-Base interactions energy: -80.809
where: short stacking energy: -39.077
Base-Backbone interact. energy: 0.136
local terms energy: -83.857603
where:
bonds (distance) C4'-P energy: -20.177
bonds (distance) P-C4' energy: -20.269
flat angles C4'-P-C4' energy: -21.554
flat angles P-C4'-P energy: -11.463
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: 9, replica: 4
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -103.645217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.645217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.645217 (E_RNA)
where:
Base-Base interactions energy: -46.037
where: short stacking energy: -46.037
Base-Backbone interact. energy: -0.122
local terms energy: -57.485429
where:
bonds (distance) C4'-P energy: -12.213
bonds (distance) P-C4' energy: -20.414
flat angles C4'-P-C4' energy: -10.813
flat angles P-C4'-P energy: -8.587
tors. eta vs tors. theta energy: -5.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -98.678578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.678578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.678578 (E_RNA)
where:
Base-Base interactions energy: -40.680
where: short stacking energy: -40.680
Base-Backbone interact. energy: -0.213
local terms energy: -57.786039
where:
bonds (distance) C4'-P energy: -9.731
bonds (distance) P-C4' energy: -23.088
flat angles C4'-P-C4' energy: -16.874
flat angles P-C4'-P energy: -6.840
tors. eta vs tors. theta energy: -1.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -333.029358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.029358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.029358 (E_RNA)
where:
Base-Base interactions energy: -229.956
where: short stacking energy: -98.318
Base-Backbone interact. energy: 0.075
local terms energy: -103.147787
where:
bonds (distance) C4'-P energy: -17.094
bonds (distance) P-C4' energy: -21.798
flat angles C4'-P-C4' energy: -20.503
flat angles P-C4'-P energy: -13.968
tors. eta vs tors. theta energy: -29.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -325.323058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.323058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.323058 (E_RNA)
where:
Base-Base interactions energy: -224.578
where: short stacking energy: -93.570
Base-Backbone interact. energy: -0.410
local terms energy: -100.335436
where:
bonds (distance) C4'-P energy: -19.097
bonds (distance) P-C4' energy: -17.988
flat angles C4'-P-C4' energy: -22.491
flat angles P-C4'-P energy: -12.522
tors. eta vs tors. theta energy: -28.237
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: 10
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -306.022306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.022306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.022306 (E_RNA)
where:
Base-Base interactions energy: -204.309
where: short stacking energy: -83.591
Base-Backbone interact. energy: -0.036
local terms energy: -101.677414
where:
bonds (distance) C4'-P energy: -18.382
bonds (distance) P-C4' energy: -20.807
flat angles C4'-P-C4' energy: -24.798
flat angles P-C4'-P energy: -12.066
tors. eta vs tors. theta energy: -25.624
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: 5
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -284.597257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.597257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.597257 (E_RNA)
where:
Base-Base interactions energy: -190.575
where: short stacking energy: -78.768
Base-Backbone interact. energy: -0.094
local terms energy: -93.928250
where:
bonds (distance) C4'-P energy: -21.639
bonds (distance) P-C4' energy: -19.231
flat angles C4'-P-C4' energy: -16.174
flat angles P-C4'-P energy: -11.922
tors. eta vs tors. theta energy: -24.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -278.406050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.406050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.406050 (E_RNA)
where:
Base-Base interactions energy: -188.070
where: short stacking energy: -82.294
Base-Backbone interact. energy: 0.129
local terms energy: -90.465064
where:
bonds (distance) C4'-P energy: -12.753
bonds (distance) P-C4' energy: -18.349
flat angles C4'-P-C4' energy: -20.913
flat angles P-C4'-P energy: -15.258
tors. eta vs tors. theta energy: -23.192
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: 9
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -169.030525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.030525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.030525 (E_RNA)
where:
Base-Base interactions energy: -100.411
where: short stacking energy: -61.086
Base-Backbone interact. energy: -0.847
local terms energy: -67.772717
where:
bonds (distance) C4'-P energy: -10.844
bonds (distance) P-C4' energy: -20.552
flat angles C4'-P-C4' energy: -18.075
flat angles P-C4'-P energy: -7.080
tors. eta vs tors. theta energy: -11.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -118.523301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.523301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.523301 (E_RNA)
where:
Base-Base interactions energy: -44.389
where: short stacking energy: -38.721
Base-Backbone interact. energy: -0.330
local terms energy: -73.804448
where:
bonds (distance) C4'-P energy: -18.911
bonds (distance) P-C4' energy: -19.478
flat angles C4'-P-C4' energy: -21.085
flat angles P-C4'-P energy: -11.073
tors. eta vs tors. theta energy: -3.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -118.936437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.936437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.936437 (E_RNA)
where:
Base-Base interactions energy: -42.405
where: short stacking energy: -41.451
Base-Backbone interact. energy: -0.145
local terms energy: -76.386066
where:
bonds (distance) C4'-P energy: -19.695
bonds (distance) P-C4' energy: -21.469
flat angles C4'-P-C4' energy: -21.464
flat angles P-C4'-P energy: -10.171
tors. eta vs tors. theta energy: -3.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -119.261189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.261189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.261189 (E_RNA)
where:
Base-Base interactions energy: -57.454
where: short stacking energy: -38.403
Base-Backbone interact. energy: -0.100
local terms energy: -61.706441
where:
bonds (distance) C4'-P energy: -18.436
bonds (distance) P-C4' energy: -19.962
flat angles C4'-P-C4' energy: -16.137
flat angles P-C4'-P energy: -6.430
tors. eta vs tors. theta energy: -0.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -92.666361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.666361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.666361 (E_RNA)
where:
Base-Base interactions energy: -39.285
where: short stacking energy: -31.465
Base-Backbone interact. energy: -0.052
local terms energy: -53.330003
where:
bonds (distance) C4'-P energy: -11.439
bonds (distance) P-C4' energy: -21.891
flat angles C4'-P-C4' energy: -6.701
flat angles P-C4'-P energy: -8.651
tors. eta vs tors. theta energy: -4.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -332.716474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.716474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.716474 (E_RNA)
where:
Base-Base interactions energy: -223.086
where: short stacking energy: -95.651
Base-Backbone interact. energy: -0.685
local terms energy: -108.945722
where:
bonds (distance) C4'-P energy: -21.101
bonds (distance) P-C4' energy: -18.297
flat angles C4'-P-C4' energy: -24.487
flat angles P-C4'-P energy: -17.126
tors. eta vs tors. theta energy: -27.935
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: 7
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -324.493191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.493191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.493191 (E_RNA)
where:
Base-Base interactions energy: -220.259
where: short stacking energy: -93.866
Base-Backbone interact. energy: -1.689
local terms energy: -102.544758
where:
bonds (distance) C4'-P energy: -22.492
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -22.209
flat angles P-C4'-P energy: -16.102
tors. eta vs tors. theta energy: -24.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -289.956443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.956443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.956443 (E_RNA)
where:
Base-Base interactions energy: -188.950
where: short stacking energy: -79.903
Base-Backbone interact. energy: 0.525
local terms energy: -101.531531
where:
bonds (distance) C4'-P energy: -21.595
bonds (distance) P-C4' energy: -20.717
flat angles C4'-P-C4' energy: -22.540
flat angles P-C4'-P energy: -14.499
tors. eta vs tors. theta energy: -22.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -279.629721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.629721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.629721 (E_RNA)
where:
Base-Base interactions energy: -178.173
where: short stacking energy: -76.839
Base-Backbone interact. energy: -0.195
local terms energy: -101.261759
where:
bonds (distance) C4'-P energy: -18.241
bonds (distance) P-C4' energy: -20.548
flat angles C4'-P-C4' energy: -23.252
flat angles P-C4'-P energy: -15.483
tors. eta vs tors. theta energy: -23.738
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: 3
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -269.625437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.625437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.625437 (E_RNA)
where:
Base-Base interactions energy: -179.952
where: short stacking energy: -71.899
Base-Backbone interact. energy: 0.639
local terms energy: -90.311592
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -20.011
flat angles C4'-P-C4' energy: -20.651
flat angles P-C4'-P energy: -15.021
tors. eta vs tors. theta energy: -20.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -174.760454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.760454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.760454 (E_RNA)
where:
Base-Base interactions energy: -97.870
where: short stacking energy: -58.783
Base-Backbone interact. energy: -0.212
local terms energy: -76.678751
where:
bonds (distance) C4'-P energy: -21.834
bonds (distance) P-C4' energy: -17.171
flat angles C4'-P-C4' energy: -16.686
flat angles P-C4'-P energy: -11.106
tors. eta vs tors. theta energy: -9.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -116.713730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.713730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.713730 (E_RNA)
where:
Base-Base interactions energy: -52.855
where: short stacking energy: -46.156
Base-Backbone interact. energy: -0.182
local terms energy: -63.676482
where:
bonds (distance) C4'-P energy: -19.320
bonds (distance) P-C4' energy: -20.355
flat angles C4'-P-C4' energy: -12.587
flat angles P-C4'-P energy: -8.266
tors. eta vs tors. theta energy: -3.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -120.717867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.717867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.717867 (E_RNA)
where:
Base-Base interactions energy: -46.517
where: short stacking energy: -42.575
Base-Backbone interact. energy: 0.141
local terms energy: -74.341606
where:
bonds (distance) C4'-P energy: -15.645
bonds (distance) P-C4' energy: -18.425
flat angles C4'-P-C4' energy: -20.575
flat angles P-C4'-P energy: -15.337
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: 6
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -109.023707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.023707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.023707 (E_RNA)
where:
Base-Base interactions energy: -49.350
where: short stacking energy: -30.548
Base-Backbone interact. energy: -0.997
local terms energy: -58.676697
where:
bonds (distance) C4'-P energy: -9.366
bonds (distance) P-C4' energy: -14.403
flat angles C4'-P-C4' energy: -17.006
flat angles P-C4'-P energy: -13.022
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: 10, replica: 8
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -96.735834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.735834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.735834 (E_RNA)
where:
Base-Base interactions energy: -44.547
where: short stacking energy: -33.871
Base-Backbone interact. energy: -0.316
local terms energy: -51.873298
where:
bonds (distance) C4'-P energy: -9.803
bonds (distance) P-C4' energy: -16.298
flat angles C4'-P-C4' energy: -17.750
flat angles P-C4'-P energy: -11.272
tors. eta vs tors. theta energy: 3.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -338.252602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.252602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.252602 (E_RNA)
where:
Base-Base interactions energy: -230.567
where: short stacking energy: -102.450
Base-Backbone interact. energy: -0.797
local terms energy: -106.888253
where:
bonds (distance) C4'-P energy: -18.519
bonds (distance) P-C4' energy: -21.433
flat angles C4'-P-C4' energy: -23.947
flat angles P-C4'-P energy: -15.406
tors. eta vs tors. theta energy: -27.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -326.111000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.111000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.111000 (E_RNA)
where:
Base-Base interactions energy: -221.793
where: short stacking energy: -91.469
Base-Backbone interact. energy: 0.035
local terms energy: -104.352608
where:
bonds (distance) C4'-P energy: -18.924
bonds (distance) P-C4' energy: -20.041
flat angles C4'-P-C4' energy: -23.066
flat angles P-C4'-P energy: -12.323
tors. eta vs tors. theta energy: -30.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -293.913426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.913426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.913426 (E_RNA)
where:
Base-Base interactions energy: -200.818
where: short stacking energy: -86.606
Base-Backbone interact. energy: -0.014
local terms energy: -93.081206
where:
bonds (distance) C4'-P energy: -22.069
bonds (distance) P-C4' energy: -14.030
flat angles C4'-P-C4' energy: -20.274
flat angles P-C4'-P energy: -13.733
tors. eta vs tors. theta energy: -22.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -282.499631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.499631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.499631 (E_RNA)
where:
Base-Base interactions energy: -187.341
where: short stacking energy: -80.124
Base-Backbone interact. energy: 0.046
local terms energy: -95.204326
where:
bonds (distance) C4'-P energy: -14.650
bonds (distance) P-C4' energy: -21.919
flat angles C4'-P-C4' energy: -23.001
flat angles P-C4'-P energy: -15.203
tors. eta vs tors. theta energy: -20.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -267.506194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.506194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.506194 (E_RNA)
where:
Base-Base interactions energy: -184.468
where: short stacking energy: -74.232
Base-Backbone interact. energy: -0.195
local terms energy: -82.842807
where:
bonds (distance) C4'-P energy: -19.082
bonds (distance) P-C4' energy: -20.270
flat angles C4'-P-C4' energy: -16.749
flat angles P-C4'-P energy: -9.122
tors. eta vs tors. theta energy: -17.619
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: 9
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -159.257235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.257235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.257235 (E_RNA)
where:
Base-Base interactions energy: -81.016
where: short stacking energy: -53.050
Base-Backbone interact. energy: -0.708
local terms energy: -77.532966
where:
bonds (distance) C4'-P energy: -22.828
bonds (distance) P-C4' energy: -17.119
flat angles C4'-P-C4' energy: -16.124
flat angles P-C4'-P energy: -10.179
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: 7, replica: 4
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -128.990072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.990072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.990072 (E_RNA)
where:
Base-Base interactions energy: -59.564
where: short stacking energy: -49.924
Base-Backbone interact. energy: 0.113
local terms energy: -69.539538
where:
bonds (distance) C4'-P energy: -20.290
bonds (distance) P-C4' energy: -20.087
flat angles C4'-P-C4' energy: -15.932
flat angles P-C4'-P energy: -10.392
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: 8, replica: 6
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -125.437904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.437904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.437904 (E_RNA)
where:
Base-Base interactions energy: -59.603
where: short stacking energy: -34.773
Base-Backbone interact. energy: 0.259
local terms energy: -66.093923
where:
bonds (distance) C4'-P energy: -17.608
bonds (distance) P-C4' energy: -18.037
flat angles C4'-P-C4' energy: -18.298
flat angles P-C4'-P energy: -9.470
tors. eta vs tors. theta energy: -2.681
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: 1
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -129.895472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.895472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.895472 (E_RNA)
where:
Base-Base interactions energy: -72.067
where: short stacking energy: -46.960
Base-Backbone interact. energy: -0.049
local terms energy: -57.779352
where:
bonds (distance) C4'-P energy: -12.961
bonds (distance) P-C4' energy: -19.520
flat angles C4'-P-C4' energy: -15.445
flat angles P-C4'-P energy: -3.518
tors. eta vs tors. theta energy: -6.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -104.630705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.630705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.630705 (E_RNA)
where:
Base-Base interactions energy: -39.532
where: short stacking energy: -22.278
Base-Backbone interact. energy: 0.099
local terms energy: -65.197393
where:
bonds (distance) C4'-P energy: -19.946
bonds (distance) P-C4' energy: -21.190
flat angles C4'-P-C4' energy: -10.127
flat angles P-C4'-P energy: -12.087
tors. eta vs tors. theta energy: -1.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -329.872023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.872023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.872023 (E_RNA)
where:
Base-Base interactions energy: -226.975
where: short stacking energy: -93.398
Base-Backbone interact. energy: -0.388
local terms energy: -102.509287
where:
bonds (distance) C4'-P energy: -18.347
bonds (distance) P-C4' energy: -22.514
flat angles C4'-P-C4' energy: -20.177
flat angles P-C4'-P energy: -11.948
tors. eta vs tors. theta energy: -29.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -330.862257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.862257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.862257 (E_RNA)
where:
Base-Base interactions energy: -223.970
where: short stacking energy: -95.679
Base-Backbone interact. energy: -0.529
local terms energy: -106.363263
where:
bonds (distance) C4'-P energy: -19.192
bonds (distance) P-C4' energy: -22.446
flat angles C4'-P-C4' energy: -22.398
flat angles P-C4'-P energy: -15.425
tors. eta vs tors. theta energy: -26.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -291.979839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.979839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.979839 (E_RNA)
where:
Base-Base interactions energy: -203.321
where: short stacking energy: -84.483
Base-Backbone interact. energy: -0.067
local terms energy: -88.591457
where:
bonds (distance) C4'-P energy: -17.425
bonds (distance) P-C4' energy: -18.707
flat angles C4'-P-C4' energy: -18.103
flat angles P-C4'-P energy: -14.395
tors. eta vs tors. theta energy: -19.961
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: 5
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -295.213189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.213189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.213189 (E_RNA)
where:
Base-Base interactions energy: -212.953
where: short stacking energy: -83.842
Base-Backbone interact. energy: -0.879
local terms energy: -81.381233
where:
bonds (distance) C4'-P energy: -21.306
bonds (distance) P-C4' energy: -17.409
flat angles C4'-P-C4' energy: -22.442
flat angles P-C4'-P energy: -0.503
tors. eta vs tors. theta energy: -19.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -275.575956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.575956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.575956 (E_RNA)
where:
Base-Base interactions energy: -181.025
where: short stacking energy: -73.510
Base-Backbone interact. energy: 0.367
local terms energy: -94.917921
where:
bonds (distance) C4'-P energy: -18.962
bonds (distance) P-C4' energy: -18.173
flat angles C4'-P-C4' energy: -22.439
flat angles P-C4'-P energy: -15.352
tors. eta vs tors. theta energy: -19.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -148.953727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.953727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.953727 (E_RNA)
where:
Base-Base interactions energy: -82.499
where: short stacking energy: -46.769
Base-Backbone interact. energy: -0.086
local terms energy: -66.368831
where:
bonds (distance) C4'-P energy: -15.815
bonds (distance) P-C4' energy: -14.808
flat angles C4'-P-C4' energy: -18.880
flat angles P-C4'-P energy: -10.898
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: 7, replica: 6
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -168.876133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.876133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.876133 (E_RNA)
where:
Base-Base interactions energy: -99.478
where: short stacking energy: -58.861
Base-Backbone interact. energy: -1.359
local terms energy: -68.038618
where:
bonds (distance) C4'-P energy: -11.863
bonds (distance) P-C4' energy: -16.384
flat angles C4'-P-C4' energy: -18.750
flat angles P-C4'-P energy: -10.099
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: 8, replica: 4
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -109.643740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.643740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.643740 (E_RNA)
where:
Base-Base interactions energy: -39.140
where: short stacking energy: -36.829
Base-Backbone interact. energy: 0.399
local terms energy: -70.902547
where:
bonds (distance) C4'-P energy: -17.296
bonds (distance) P-C4' energy: -22.973
flat angles C4'-P-C4' energy: -14.220
flat angles P-C4'-P energy: -7.640
tors. eta vs tors. theta energy: -8.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -100.071921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.071921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.071921 (E_RNA)
where:
Base-Base interactions energy: -38.075
where: short stacking energy: -28.157
Base-Backbone interact. energy: 2.516
local terms energy: -64.512502
where:
bonds (distance) C4'-P energy: -17.834
bonds (distance) P-C4' energy: -18.865
flat angles C4'-P-C4' energy: -13.111
flat angles P-C4'-P energy: -13.243
tors. eta vs tors. theta energy: -1.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -116.349808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.349808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.349808 (E_RNA)
where:
Base-Base interactions energy: -52.507
where: short stacking energy: -33.747
Base-Backbone interact. energy: -0.143
local terms energy: -63.699615
where:
bonds (distance) C4'-P energy: -13.649
bonds (distance) P-C4' energy: -15.966
flat angles C4'-P-C4' energy: -16.425
flat angles P-C4'-P energy: -14.217
tors. eta vs tors. theta energy: -3.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -332.280585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.280585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.280585 (E_RNA)
where:
Base-Base interactions energy: -233.785
where: short stacking energy: -96.185
Base-Backbone interact. energy: -0.131
local terms energy: -98.364472
where:
bonds (distance) C4'-P energy: -18.951
bonds (distance) P-C4' energy: -18.881
flat angles C4'-P-C4' energy: -18.640
flat angles P-C4'-P energy: -13.874
tors. eta vs tors. theta energy: -28.018
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: 2, replica: 2
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -321.995293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.995293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.995293 (E_RNA)
where:
Base-Base interactions energy: -220.205
where: short stacking energy: -95.996
Base-Backbone interact. energy: -0.827
local terms energy: -100.963063
where:
bonds (distance) C4'-P energy: -22.898
bonds (distance) P-C4' energy: -18.520
flat angles C4'-P-C4' energy: -17.183
flat angles P-C4'-P energy: -13.244
tors. eta vs tors. theta energy: -29.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -297.769045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.769045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.769045 (E_RNA)
where:
Base-Base interactions energy: -206.055
where: short stacking energy: -92.518
Base-Backbone interact. energy: -0.811
local terms energy: -90.903361
where:
bonds (distance) C4'-P energy: -14.990
bonds (distance) P-C4' energy: -19.074
flat angles C4'-P-C4' energy: -21.016
flat angles P-C4'-P energy: -7.783
tors. eta vs tors. theta energy: -28.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -292.791884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.791884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.791884 (E_RNA)
where:
Base-Base interactions energy: -199.744
where: short stacking energy: -75.118
Base-Backbone interact. energy: -0.854
local terms energy: -92.194207
where:
bonds (distance) C4'-P energy: -20.241
bonds (distance) P-C4' energy: -18.787
flat angles C4'-P-C4' energy: -22.688
flat angles P-C4'-P energy: -8.609
tors. eta vs tors. theta energy: -21.868
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: 167
Temperature: 1.100000
Total energy: -260.276818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.276818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.276818 (E_RNA)
where:
Base-Base interactions energy: -171.310
where: short stacking energy: -70.738
Base-Backbone interact. energy: 0.675
local terms energy: -89.641849
where:
bonds (distance) C4'-P energy: -18.070
bonds (distance) P-C4' energy: -20.341
flat angles C4'-P-C4' energy: -16.473
flat angles P-C4'-P energy: -13.887
tors. eta vs tors. theta energy: -20.871
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: 6
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -220.822161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.822161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.822161 (E_RNA)
where:
Base-Base interactions energy: -143.104
where: short stacking energy: -64.471
Base-Backbone interact. energy: -0.623
local terms energy: -77.094359
where:
bonds (distance) C4'-P energy: -19.122
bonds (distance) P-C4' energy: -18.601
flat angles C4'-P-C4' energy: -19.406
flat angles P-C4'-P energy: -7.690
tors. eta vs tors. theta energy: -12.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -193.958011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.958011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.958011 (E_RNA)
where:
Base-Base interactions energy: -114.353
where: short stacking energy: -60.559
Base-Backbone interact. energy: -0.120
local terms energy: -79.485083
where:
bonds (distance) C4'-P energy: -17.111
bonds (distance) P-C4' energy: -19.144
flat angles C4'-P-C4' energy: -18.318
flat angles P-C4'-P energy: -13.050
tors. eta vs tors. theta energy: -11.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -120.842667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.842667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.842667 (E_RNA)
where:
Base-Base interactions energy: -51.022
where: short stacking energy: -39.289
Base-Backbone interact. energy: -0.040
local terms energy: -69.780376
where:
bonds (distance) C4'-P energy: -14.113
bonds (distance) P-C4' energy: -19.708
flat angles C4'-P-C4' energy: -14.696
flat angles P-C4'-P energy: -13.499
tors. eta vs tors. theta energy: -7.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -121.471918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.471918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.471918 (E_RNA)
where:
Base-Base interactions energy: -49.868
where: short stacking energy: -49.868
Base-Backbone interact. energy: 0.563
local terms energy: -72.166889
where:
bonds (distance) C4'-P energy: -13.738
bonds (distance) P-C4' energy: -23.380
flat angles C4'-P-C4' energy: -12.371
flat angles P-C4'-P energy: -11.059
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: 10, replica: 8
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -106.348253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.348253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.348253 (E_RNA)
where:
Base-Base interactions energy: -46.192
where: short stacking energy: -34.556
Base-Backbone interact. energy: -0.248
local terms energy: -59.907687
where:
bonds (distance) C4'-P energy: -21.367
bonds (distance) P-C4' energy: -14.597
flat angles C4'-P-C4' energy: -14.771
flat angles P-C4'-P energy: -9.648
tors. eta vs tors. theta energy: 0.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -333.763794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.763794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.763794 (E_RNA)
where:
Base-Base interactions energy: -226.172
where: short stacking energy: -103.241
Base-Backbone interact. energy: -0.250
local terms energy: -107.342194
where:
bonds (distance) C4'-P energy: -18.986
bonds (distance) P-C4' energy: -20.107
flat angles C4'-P-C4' energy: -24.709
flat angles P-C4'-P energy: -13.869
tors. eta vs tors. theta energy: -29.671
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: 2, replica: 7
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -332.257418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.257418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.257418 (E_RNA)
where:
Base-Base interactions energy: -226.871
where: short stacking energy: -85.624
Base-Backbone interact. energy: -0.135
local terms energy: -105.251483
where:
bonds (distance) C4'-P energy: -20.195
bonds (distance) P-C4' energy: -20.622
flat angles C4'-P-C4' energy: -22.168
flat angles P-C4'-P energy: -18.086
tors. eta vs tors. theta energy: -24.180
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: 168
Temperature: 1.000000
Total energy: -297.933523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.933523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.933523 (E_RNA)
where:
Base-Base interactions energy: -207.907
where: short stacking energy: -84.942
Base-Backbone interact. energy: -0.031
local terms energy: -89.995290
where:
bonds (distance) C4'-P energy: -18.990
bonds (distance) P-C4' energy: -16.931
flat angles C4'-P-C4' energy: -19.243
flat angles P-C4'-P energy: -10.582
tors. eta vs tors. theta energy: -24.250
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: 3
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -278.247809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.247809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.247809 (E_RNA)
where:
Base-Base interactions energy: -184.535
where: short stacking energy: -80.369
Base-Backbone interact. energy: -0.164
local terms energy: -93.549333
where:
bonds (distance) C4'-P energy: -20.419
bonds (distance) P-C4' energy: -21.989
flat angles C4'-P-C4' energy: -18.991
flat angles P-C4'-P energy: -10.320
tors. eta vs tors. theta energy: -21.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -278.402469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.402469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.402469 (E_RNA)
where:
Base-Base interactions energy: -187.180
where: short stacking energy: -70.818
Base-Backbone interact. energy: -0.123
local terms energy: -91.099473
where:
bonds (distance) C4'-P energy: -23.142
bonds (distance) P-C4' energy: -21.292
flat angles C4'-P-C4' energy: -16.851
flat angles P-C4'-P energy: -13.756
tors. eta vs tors. theta energy: -16.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -214.631941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.631941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.631941 (E_RNA)
where:
Base-Base interactions energy: -134.067
where: short stacking energy: -67.292
Base-Backbone interact. energy: -0.047
local terms energy: -80.517620
where:
bonds (distance) C4'-P energy: -17.881
bonds (distance) P-C4' energy: -15.421
flat angles C4'-P-C4' energy: -19.383
flat angles P-C4'-P energy: -11.399
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: 7, replica: 9
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -179.963685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.963685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.963685 (E_RNA)
where:
Base-Base interactions energy: -93.019
where: short stacking energy: -54.195
Base-Backbone interact. energy: -0.028
local terms energy: -86.916928
where:
bonds (distance) C4'-P energy: -16.701
bonds (distance) P-C4' energy: -17.619
flat angles C4'-P-C4' energy: -22.428
flat angles P-C4'-P energy: -15.604
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: 8, replica: 1
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -117.873999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.873999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.873999 (E_RNA)
where:
Base-Base interactions energy: -57.395
where: short stacking energy: -35.339
Base-Backbone interact. energy: 1.421
local terms energy: -61.900235
where:
bonds (distance) C4'-P energy: -18.219
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -16.862
flat angles P-C4'-P energy: -7.393
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: 4
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -130.109633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.109633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.109633 (E_RNA)
where:
Base-Base interactions energy: -51.561
where: short stacking energy: -48.099
Base-Backbone interact. energy: -0.096
local terms energy: -78.453318
where:
bonds (distance) C4'-P energy: -20.203
bonds (distance) P-C4' energy: -14.724
flat angles C4'-P-C4' energy: -19.610
flat angles P-C4'-P energy: -11.609
tors. eta vs tors. theta energy: -12.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -90.488562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.488562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.488562 (E_RNA)
where:
Base-Base interactions energy: -32.600
where: short stacking energy: -32.600
Base-Backbone interact. energy: 1.421
local terms energy: -59.308781
where:
bonds (distance) C4'-P energy: -15.334
bonds (distance) P-C4' energy: -15.188
flat angles C4'-P-C4' energy: -10.495
flat angles P-C4'-P energy: -12.822
tors. eta vs tors. theta energy: -5.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -333.372917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.372917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.372917 (E_RNA)
where:
Base-Base interactions energy: -223.402
where: short stacking energy: -100.014
Base-Backbone interact. energy: -0.790
local terms energy: -109.180681
where:
bonds (distance) C4'-P energy: -21.138
bonds (distance) P-C4' energy: -21.566
flat angles C4'-P-C4' energy: -21.738
flat angles P-C4'-P energy: -15.647
tors. eta vs tors. theta energy: -29.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -325.017424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.017424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.017424 (E_RNA)
where:
Base-Base interactions energy: -228.681
where: short stacking energy: -93.015
Base-Backbone interact. energy: -0.166
local terms energy: -96.170413
where:
bonds (distance) C4'-P energy: -16.403
bonds (distance) P-C4' energy: -22.260
flat angles C4'-P-C4' energy: -18.916
flat angles P-C4'-P energy: -14.665
tors. eta vs tors. theta energy: -23.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -295.523671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.523671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.523671 (E_RNA)
where:
Base-Base interactions energy: -212.004
where: short stacking energy: -86.613
Base-Backbone interact. energy: 0.052
local terms energy: -83.571404
where:
bonds (distance) C4'-P energy: -16.310
bonds (distance) P-C4' energy: -17.823
flat angles C4'-P-C4' energy: -22.657
flat angles P-C4'-P energy: -6.787
tors. eta vs tors. theta energy: -19.995
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: 4, replica: 10
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -282.587291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.587291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.587291 (E_RNA)
where:
Base-Base interactions energy: -196.050
where: short stacking energy: -63.757
Base-Backbone interact. energy: 0.168
local terms energy: -86.704880
where:
bonds (distance) C4'-P energy: -19.114
bonds (distance) P-C4' energy: -21.686
flat angles C4'-P-C4' energy: -23.423
flat angles P-C4'-P energy: -3.683
tors. eta vs tors. theta energy: -18.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -281.203441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.203441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.203441 (E_RNA)
where:
Base-Base interactions energy: -198.406
where: short stacking energy: -67.340
Base-Backbone interact. energy: 0.215
local terms energy: -83.013075
where:
bonds (distance) C4'-P energy: -20.443
bonds (distance) P-C4' energy: -19.934
flat angles C4'-P-C4' energy: -19.678
flat angles P-C4'-P energy: -12.530
tors. eta vs tors. theta energy: -10.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -181.795197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.795197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.795197 (E_RNA)
where:
Base-Base interactions energy: -107.278
where: short stacking energy: -54.989
Base-Backbone interact. energy: -0.635
local terms energy: -73.882861
where:
bonds (distance) C4'-P energy: -18.078
bonds (distance) P-C4' energy: -14.190
flat angles C4'-P-C4' energy: -21.114
flat angles P-C4'-P energy: -9.091
tors. eta vs tors. theta energy: -11.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -181.093758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.093758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.093758 (E_RNA)
where:
Base-Base interactions energy: -97.256
where: short stacking energy: -60.929
Base-Backbone interact. energy: -0.145
local terms energy: -83.692792
where:
bonds (distance) C4'-P energy: -19.123
bonds (distance) P-C4' energy: -21.046
flat angles C4'-P-C4' energy: -19.245
flat angles P-C4'-P energy: -10.536
tors. eta vs tors. theta energy: -13.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -111.022525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.022525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.022525 (E_RNA)
where:
Base-Base interactions energy: -44.041
where: short stacking energy: -26.468
Base-Backbone interact. energy: -0.648
local terms energy: -66.333656
where:
bonds (distance) C4'-P energy: -18.907
bonds (distance) P-C4' energy: -21.025
flat angles C4'-P-C4' energy: -16.588
flat angles P-C4'-P energy: -14.255
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: 4
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -108.921602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.921602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.921602 (E_RNA)
where:
Base-Base interactions energy: -55.537
where: short stacking energy: -36.752
Base-Backbone interact. energy: -0.724
local terms energy: -52.660536
where:
bonds (distance) C4'-P energy: -9.188
bonds (distance) P-C4' energy: -22.197
flat angles C4'-P-C4' energy: -13.453
flat angles P-C4'-P energy: -8.020
tors. eta vs tors. theta energy: 0.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -96.738984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.738984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.738984 (E_RNA)
where:
Base-Base interactions energy: -36.528
where: short stacking energy: -29.591
Base-Backbone interact. energy: 0.553
local terms energy: -60.764039
where:
bonds (distance) C4'-P energy: -18.472
bonds (distance) P-C4' energy: -18.041
flat angles C4'-P-C4' energy: -17.922
flat angles P-C4'-P energy: -13.738
tors. eta vs tors. theta energy: 7.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -326.606243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.606243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.606243 (E_RNA)
where:
Base-Base interactions energy: -228.597
where: short stacking energy: -87.104
Base-Backbone interact. energy: -0.106
local terms energy: -97.903478
where:
bonds (distance) C4'-P energy: -23.794
bonds (distance) P-C4' energy: -17.466
flat angles C4'-P-C4' energy: -20.756
flat angles P-C4'-P energy: -13.574
tors. eta vs tors. theta energy: -22.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -327.171327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.171327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.171327 (E_RNA)
where:
Base-Base interactions energy: -225.676
where: short stacking energy: -94.678
Base-Backbone interact. energy: -0.117
local terms energy: -101.378561
where:
bonds (distance) C4'-P energy: -21.757
bonds (distance) P-C4' energy: -18.439
flat angles C4'-P-C4' energy: -20.627
flat angles P-C4'-P energy: -15.349
tors. eta vs tors. theta energy: -25.207
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: 10
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -286.678558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.678558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.678558 (E_RNA)
where:
Base-Base interactions energy: -194.958
where: short stacking energy: -76.784
Base-Backbone interact. energy: -0.572
local terms energy: -91.148914
where:
bonds (distance) C4'-P energy: -20.645
bonds (distance) P-C4' energy: -19.179
flat angles C4'-P-C4' energy: -21.676
flat angles P-C4'-P energy: -11.719
tors. eta vs tors. theta energy: -17.930
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: 5
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -297.172481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.172481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.172481 (E_RNA)
where:
Base-Base interactions energy: -205.772
where: short stacking energy: -91.051
Base-Backbone interact. energy: -0.027
local terms energy: -91.373386
where:
bonds (distance) C4'-P energy: -15.050
bonds (distance) P-C4' energy: -23.362
flat angles C4'-P-C4' energy: -21.656
flat angles P-C4'-P energy: -8.591
tors. eta vs tors. theta energy: -22.714
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: 3
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -265.517941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.517941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.517941 (E_RNA)
where:
Base-Base interactions energy: -178.053
where: short stacking energy: -82.010
Base-Backbone interact. energy: -0.612
local terms energy: -86.853171
where:
bonds (distance) C4'-P energy: -20.562
bonds (distance) P-C4' energy: -13.982
flat angles C4'-P-C4' energy: -23.219
flat angles P-C4'-P energy: -5.757
tors. eta vs tors. theta energy: -23.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -208.564045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.564045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.564045 (E_RNA)
where:
Base-Base interactions energy: -136.991
where: short stacking energy: -65.638
Base-Backbone interact. energy: -0.364
local terms energy: -71.209237
where:
bonds (distance) C4'-P energy: -14.452
bonds (distance) P-C4' energy: -11.954
flat angles C4'-P-C4' energy: -16.281
flat angles P-C4'-P energy: -11.267
tors. eta vs tors. theta energy: -17.256
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: 9
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -173.939985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.939985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.939985 (E_RNA)
where:
Base-Base interactions energy: -93.307
where: short stacking energy: -50.003
Base-Backbone interact. energy: -0.243
local terms energy: -80.389702
where:
bonds (distance) C4'-P energy: -19.133
bonds (distance) P-C4' energy: -20.880
flat angles C4'-P-C4' energy: -20.128
flat angles P-C4'-P energy: -11.674
tors. eta vs tors. theta energy: -8.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -114.344563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.344563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.344563 (E_RNA)
where:
Base-Base interactions energy: -40.643
where: short stacking energy: -37.749
Base-Backbone interact. energy: -0.173
local terms energy: -73.528531
where:
bonds (distance) C4'-P energy: -15.035
bonds (distance) P-C4' energy: -19.188
flat angles C4'-P-C4' energy: -20.038
flat angles P-C4'-P energy: -11.296
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: 9, replica: 8
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -109.913449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.913449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.913449 (E_RNA)
where:
Base-Base interactions energy: -45.254
where: short stacking energy: -38.514
Base-Backbone interact. energy: -0.064
local terms energy: -64.596104
where:
bonds (distance) C4'-P energy: -14.030
bonds (distance) P-C4' energy: -15.295
flat angles C4'-P-C4' energy: -19.633
flat angles P-C4'-P energy: -13.717
tors. eta vs tors. theta energy: -1.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -100.605294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.605294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.605294 (E_RNA)
where:
Base-Base interactions energy: -37.675
where: short stacking energy: -37.675
Base-Backbone interact. energy: 0.058
local terms energy: -62.988769
where:
bonds (distance) C4'-P energy: -17.843
bonds (distance) P-C4' energy: -22.184
flat angles C4'-P-C4' energy: -16.242
flat angles P-C4'-P energy: -5.426
tors. eta vs tors. theta energy: -1.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -327.971039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.971039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.971039 (E_RNA)
where:
Base-Base interactions energy: -227.502
where: short stacking energy: -90.736
Base-Backbone interact. energy: 0.089
local terms energy: -100.558600
where:
bonds (distance) C4'-P energy: -20.393
bonds (distance) P-C4' energy: -17.672
flat angles C4'-P-C4' energy: -21.689
flat angles P-C4'-P energy: -15.421
tors. eta vs tors. theta energy: -25.384
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: 2
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -325.994072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.994072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.994072 (E_RNA)
where:
Base-Base interactions energy: -231.945
where: short stacking energy: -100.311
Base-Backbone interact. energy: -0.178
local terms energy: -93.870731
where:
bonds (distance) C4'-P energy: -16.072
bonds (distance) P-C4' energy: -16.062
flat angles C4'-P-C4' energy: -20.220
flat angles P-C4'-P energy: -17.508
tors. eta vs tors. theta energy: -24.010
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: 171
Temperature: 1.000000
Total energy: -287.097874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.097874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.097874 (E_RNA)
where:
Base-Base interactions energy: -187.345
where: short stacking energy: -78.683
Base-Backbone interact. energy: -0.129
local terms energy: -99.623923
where:
bonds (distance) C4'-P energy: -23.312
bonds (distance) P-C4' energy: -21.831
flat angles C4'-P-C4' energy: -19.155
flat angles P-C4'-P energy: -10.136
tors. eta vs tors. theta energy: -25.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -282.749044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.749044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.749044 (E_RNA)
where:
Base-Base interactions energy: -187.892
where: short stacking energy: -71.599
Base-Backbone interact. energy: -0.171
local terms energy: -94.686163
where:
bonds (distance) C4'-P energy: -15.406
bonds (distance) P-C4' energy: -21.387
flat angles C4'-P-C4' energy: -22.099
flat angles P-C4'-P energy: -10.894
tors. eta vs tors. theta energy: -24.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -278.938159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.938159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.938159 (E_RNA)
where:
Base-Base interactions energy: -187.357
where: short stacking energy: -71.935
Base-Backbone interact. energy: -0.670
local terms energy: -90.911426
where:
bonds (distance) C4'-P energy: -16.619
bonds (distance) P-C4' energy: -14.988
flat angles C4'-P-C4' energy: -22.165
flat angles P-C4'-P energy: -17.188
tors. eta vs tors. theta energy: -19.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -220.263455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.263455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.263455 (E_RNA)
where:
Base-Base interactions energy: -138.584
where: short stacking energy: -66.211
Base-Backbone interact. energy: 1.000
local terms energy: -82.679576
where:
bonds (distance) C4'-P energy: -14.892
bonds (distance) P-C4' energy: -17.466
flat angles C4'-P-C4' energy: -15.779
flat angles P-C4'-P energy: -12.072
tors. eta vs tors. theta energy: -22.471
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: 171
Temperature: 1.200000
Total energy: -180.600628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.600628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.600628 (E_RNA)
where:
Base-Base interactions energy: -107.249
where: short stacking energy: -49.783
Base-Backbone interact. energy: -0.343
local terms energy: -73.008001
where:
bonds (distance) C4'-P energy: -18.153
bonds (distance) P-C4' energy: -20.996
flat angles C4'-P-C4' energy: -13.834
flat angles P-C4'-P energy: -13.421
tors. eta vs tors. theta energy: -6.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -127.524803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.524803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.524803 (E_RNA)
where:
Base-Base interactions energy: -72.986
where: short stacking energy: -38.605
Base-Backbone interact. energy: -0.401
local terms energy: -54.137745
where:
bonds (distance) C4'-P energy: -13.783
bonds (distance) P-C4' energy: -10.762
flat angles C4'-P-C4' energy: -17.740
flat angles P-C4'-P energy: -12.336
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: 1
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -114.245534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.245534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.245534 (E_RNA)
where:
Base-Base interactions energy: -41.361
where: short stacking energy: -38.852
Base-Backbone interact. energy: -0.129
local terms energy: -72.755409
where:
bonds (distance) C4'-P energy: -21.354
bonds (distance) P-C4' energy: -16.536
flat angles C4'-P-C4' energy: -17.496
flat angles P-C4'-P energy: -4.822
tors. eta vs tors. theta energy: -12.548
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: 10, replica: 4
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -113.507452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.507452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.507452 (E_RNA)
where:
Base-Base interactions energy: -40.053
where: short stacking energy: -35.258
Base-Backbone interact. energy: -0.208
local terms energy: -73.246944
where:
bonds (distance) C4'-P energy: -20.664
bonds (distance) P-C4' energy: -22.132
flat angles C4'-P-C4' energy: -16.089
flat angles P-C4'-P energy: -10.848
tors. eta vs tors. theta energy: -3.514
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: 1, replica: 7
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -331.723883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.723883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.723883 (E_RNA)
where:
Base-Base interactions energy: -231.506
where: short stacking energy: -94.093
Base-Backbone interact. energy: 1.153
local terms energy: -101.370842
where:
bonds (distance) C4'-P energy: -18.232
bonds (distance) P-C4' energy: -21.577
flat angles C4'-P-C4' energy: -23.013
flat angles P-C4'-P energy: -15.080
tors. eta vs tors. theta energy: -23.469
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: 2
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -321.560506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.560506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.560506 (E_RNA)
where:
Base-Base interactions energy: -225.370
where: short stacking energy: -96.525
Base-Backbone interact. energy: -0.962
local terms energy: -95.228926
where:
bonds (distance) C4'-P energy: -13.969
bonds (distance) P-C4' energy: -18.025
flat angles C4'-P-C4' energy: -19.048
flat angles P-C4'-P energy: -14.251
tors. eta vs tors. theta energy: -29.936
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: 3
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -282.419487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.419487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.419487 (E_RNA)
where:
Base-Base interactions energy: -194.418
where: short stacking energy: -79.830
Base-Backbone interact. energy: -0.016
local terms energy: -87.985992
where:
bonds (distance) C4'-P energy: -14.710
bonds (distance) P-C4' energy: -16.352
flat angles C4'-P-C4' energy: -19.830
flat angles P-C4'-P energy: -14.477
tors. eta vs tors. theta energy: -22.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -270.476708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.476708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.476708 (E_RNA)
where:
Base-Base interactions energy: -181.911
where: short stacking energy: -72.003
Base-Backbone interact. energy: -0.103
local terms energy: -88.462722
where:
bonds (distance) C4'-P energy: -20.453
bonds (distance) P-C4' energy: -22.950
flat angles C4'-P-C4' energy: -16.285
flat angles P-C4'-P energy: -9.137
tors. eta vs tors. theta energy: -19.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -281.912113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.912113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.912113 (E_RNA)
where:
Base-Base interactions energy: -196.907
where: short stacking energy: -78.724
Base-Backbone interact. energy: -0.107
local terms energy: -84.897322
where:
bonds (distance) C4'-P energy: -18.941
bonds (distance) P-C4' energy: -16.058
flat angles C4'-P-C4' energy: -12.872
flat angles P-C4'-P energy: -12.241
tors. eta vs tors. theta energy: -24.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -236.611837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.611837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.611837 (E_RNA)
where:
Base-Base interactions energy: -155.040
where: short stacking energy: -60.052
Base-Backbone interact. energy: -0.024
local terms energy: -81.547808
where:
bonds (distance) C4'-P energy: -15.437
bonds (distance) P-C4' energy: -21.107
flat angles C4'-P-C4' energy: -19.154
flat angles P-C4'-P energy: -11.764
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: 7, replica: 8
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -138.778815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.778815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.778815 (E_RNA)
where:
Base-Base interactions energy: -80.850
where: short stacking energy: -52.185
Base-Backbone interact. energy: -0.335
local terms energy: -57.593773
where:
bonds (distance) C4'-P energy: -18.097
bonds (distance) P-C4' energy: -15.851
flat angles C4'-P-C4' energy: -17.223
flat angles P-C4'-P energy: -6.509
tors. eta vs tors. theta energy: 0.085
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: 8, replica: 9
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -186.089678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.089678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.089678 (E_RNA)
where:
Base-Base interactions energy: -100.899
where: short stacking energy: -65.435
Base-Backbone interact. energy: 0.003
local terms energy: -85.194027
where:
bonds (distance) C4'-P energy: -20.506
bonds (distance) P-C4' energy: -18.404
flat angles C4'-P-C4' energy: -14.673
flat angles P-C4'-P energy: -11.591
tors. eta vs tors. theta energy: -20.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -130.678956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.678956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.678956 (E_RNA)
where:
Base-Base interactions energy: -53.597
where: short stacking energy: -50.581
Base-Backbone interact. energy: -0.091
local terms energy: -76.990223
where:
bonds (distance) C4'-P energy: -20.770
bonds (distance) P-C4' energy: -17.294
flat angles C4'-P-C4' energy: -17.972
flat angles P-C4'-P energy: -12.424
tors. eta vs tors. theta energy: -8.530
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: 172
Temperature: 1.350000
Total energy: -111.215060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.215060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.215060 (E_RNA)
where:
Base-Base interactions energy: -44.842
where: short stacking energy: -40.679
Base-Backbone interact. energy: -0.231
local terms energy: -66.142607
where:
bonds (distance) C4'-P energy: -17.024
bonds (distance) P-C4' energy: -18.288
flat angles C4'-P-C4' energy: -10.758
flat angles P-C4'-P energy: -8.374
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: 1, replica: 7
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -334.651601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.651601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.651601 (E_RNA)
where:
Base-Base interactions energy: -229.265
where: short stacking energy: -97.968
Base-Backbone interact. energy: -0.652
local terms energy: -104.734099
where:
bonds (distance) C4'-P energy: -21.366
bonds (distance) P-C4' energy: -22.825
flat angles C4'-P-C4' energy: -21.735
flat angles P-C4'-P energy: -15.434
tors. eta vs tors. theta energy: -23.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -323.791213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.791213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.791213 (E_RNA)
where:
Base-Base interactions energy: -214.641
where: short stacking energy: -91.670
Base-Backbone interact. energy: -0.133
local terms energy: -109.017398
where:
bonds (distance) C4'-P energy: -22.815
bonds (distance) P-C4' energy: -22.073
flat angles C4'-P-C4' energy: -22.060
flat angles P-C4'-P energy: -17.278
tors. eta vs tors. theta energy: -24.791
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: 173
Temperature: 1.000000
Total energy: -275.765980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.765980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.765980 (E_RNA)
where:
Base-Base interactions energy: -188.711
where: short stacking energy: -77.401
Base-Backbone interact. energy: -0.178
local terms energy: -86.876549
where:
bonds (distance) C4'-P energy: -20.961
bonds (distance) P-C4' energy: -13.375
flat angles C4'-P-C4' energy: -18.274
flat angles P-C4'-P energy: -11.855
tors. eta vs tors. theta energy: -22.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -284.019879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.019879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.019879 (E_RNA)
where:
Base-Base interactions energy: -195.064
where: short stacking energy: -83.982
Base-Backbone interact. energy: 0.220
local terms energy: -89.175520
where:
bonds (distance) C4'-P energy: -18.584
bonds (distance) P-C4' energy: -12.806
flat angles C4'-P-C4' energy: -23.180
flat angles P-C4'-P energy: -13.646
tors. eta vs tors. theta energy: -20.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -286.784216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.784216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.784216 (E_RNA)
where:
Base-Base interactions energy: -195.616
where: short stacking energy: -75.045
Base-Backbone interact. energy: 0.240
local terms energy: -91.408126
where:
bonds (distance) C4'-P energy: -15.529
bonds (distance) P-C4' energy: -19.087
flat angles C4'-P-C4' energy: -21.488
flat angles P-C4'-P energy: -9.941
tors. eta vs tors. theta energy: -25.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -208.304827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.304827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.304827 (E_RNA)
where:
Base-Base interactions energy: -130.489
where: short stacking energy: -55.727
Base-Backbone interact. energy: 0.159
local terms energy: -77.975311
where:
bonds (distance) C4'-P energy: -19.477
bonds (distance) P-C4' energy: -13.883
flat angles C4'-P-C4' energy: -17.032
flat angles P-C4'-P energy: -16.306
tors. eta vs tors. theta energy: -11.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -166.693594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.693594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.693594 (E_RNA)
where:
Base-Base interactions energy: -101.165
where: short stacking energy: -54.326
Base-Backbone interact. energy: -0.815
local terms energy: -64.713331
where:
bonds (distance) C4'-P energy: -14.320
bonds (distance) P-C4' energy: -12.615
flat angles C4'-P-C4' energy: -17.141
flat angles P-C4'-P energy: -10.232
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: 8, replica: 9
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -179.515315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.515315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.515315 (E_RNA)
where:
Base-Base interactions energy: -103.685
where: short stacking energy: -60.880
Base-Backbone interact. energy: -0.558
local terms energy: -75.272636
where:
bonds (distance) C4'-P energy: -16.886
bonds (distance) P-C4' energy: -16.310
flat angles C4'-P-C4' energy: -20.621
flat angles P-C4'-P energy: -8.370
tors. eta vs tors. theta energy: -13.086
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: 9, replica: 1
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -106.170478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.170478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.170478 (E_RNA)
where:
Base-Base interactions energy: -39.299
where: short stacking energy: -35.306
Base-Backbone interact. energy: -0.126
local terms energy: -66.746370
where:
bonds (distance) C4'-P energy: -15.539
bonds (distance) P-C4' energy: -16.750
flat angles C4'-P-C4' energy: -18.086
flat angles P-C4'-P energy: -11.455
tors. eta vs tors. theta energy: -4.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -101.503246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.503246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.503246 (E_RNA)
where:
Base-Base interactions energy: -44.157
where: short stacking energy: -37.343
Base-Backbone interact. energy: 2.311
local terms energy: -59.658122
where:
bonds (distance) C4'-P energy: -13.442
bonds (distance) P-C4' energy: -20.126
flat angles C4'-P-C4' energy: -15.737
flat angles P-C4'-P energy: -5.790
tors. eta vs tors. theta energy: -4.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -336.562670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.562670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.562670 (E_RNA)
where:
Base-Base interactions energy: -233.255
where: short stacking energy: -91.296
Base-Backbone interact. energy: -0.825
local terms energy: -102.482056
where:
bonds (distance) C4'-P energy: -17.847
bonds (distance) P-C4' energy: -21.942
flat angles C4'-P-C4' energy: -22.444
flat angles P-C4'-P energy: -16.088
tors. eta vs tors. theta energy: -24.159
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: 2
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -319.907625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.907625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.907625 (E_RNA)
where:
Base-Base interactions energy: -215.594
where: short stacking energy: -85.304
Base-Backbone interact. energy: 0.562
local terms energy: -104.876044
where:
bonds (distance) C4'-P energy: -20.519
bonds (distance) P-C4' energy: -22.082
flat angles C4'-P-C4' energy: -20.162
flat angles P-C4'-P energy: -15.302
tors. eta vs tors. theta energy: -26.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -294.929251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.929251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.929251 (E_RNA)
where:
Base-Base interactions energy: -204.597
where: short stacking energy: -80.920
Base-Backbone interact. energy: -0.045
local terms energy: -90.287204
where:
bonds (distance) C4'-P energy: -15.187
bonds (distance) P-C4' energy: -19.253
flat angles C4'-P-C4' energy: -18.899
flat angles P-C4'-P energy: -11.977
tors. eta vs tors. theta energy: -24.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -279.661306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.661306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.661306 (E_RNA)
where:
Base-Base interactions energy: -180.517
where: short stacking energy: -88.788
Base-Backbone interact. energy: -0.251
local terms energy: -98.893874
where:
bonds (distance) C4'-P energy: -20.458
bonds (distance) P-C4' energy: -19.946
flat angles C4'-P-C4' energy: -22.728
flat angles P-C4'-P energy: -12.640
tors. eta vs tors. theta energy: -23.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -292.435563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.435563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.435563 (E_RNA)
where:
Base-Base interactions energy: -203.673
where: short stacking energy: -78.769
Base-Backbone interact. energy: 0.869
local terms energy: -89.630852
where:
bonds (distance) C4'-P energy: -21.789
bonds (distance) P-C4' energy: -19.922
flat angles C4'-P-C4' energy: -16.116
flat angles P-C4'-P energy: -6.173
tors. eta vs tors. theta energy: -25.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -181.953625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.953625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.953625 (E_RNA)
where:
Base-Base interactions energy: -101.089
where: short stacking energy: -50.747
Base-Backbone interact. energy: -1.041
local terms energy: -79.823809
where:
bonds (distance) C4'-P energy: -16.572
bonds (distance) P-C4' energy: -21.261
flat angles C4'-P-C4' energy: -21.830
flat angles P-C4'-P energy: -9.976
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: 7, replica: 9
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -174.676812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.676812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.676812 (E_RNA)
where:
Base-Base interactions energy: -97.383
where: short stacking energy: -58.572
Base-Backbone interact. energy: 1.069
local terms energy: -78.362434
where:
bonds (distance) C4'-P energy: -15.273
bonds (distance) P-C4' energy: -20.499
flat angles C4'-P-C4' energy: -20.277
flat angles P-C4'-P energy: -11.668
tors. eta vs tors. theta energy: -10.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -159.714622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.714622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.714622 (E_RNA)
where:
Base-Base interactions energy: -99.724
where: short stacking energy: -48.733
Base-Backbone interact. energy: -0.237
local terms energy: -59.754222
where:
bonds (distance) C4'-P energy: -10.660
bonds (distance) P-C4' energy: -19.525
flat angles C4'-P-C4' energy: -14.728
flat angles P-C4'-P energy: -9.372
tors. eta vs tors. theta energy: -5.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -112.359099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.359099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.359099 (E_RNA)
where:
Base-Base interactions energy: -46.990
where: short stacking energy: -19.597
Base-Backbone interact. energy: -1.234
local terms energy: -64.135384
where:
bonds (distance) C4'-P energy: -19.876
bonds (distance) P-C4' energy: -20.348
flat angles C4'-P-C4' energy: -15.859
flat angles P-C4'-P energy: -7.279
tors. eta vs tors. theta energy: -0.774
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: 10, replica: 1
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -91.824598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.824598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.824598 (E_RNA)
where:
Base-Base interactions energy: -32.624
where: short stacking energy: -24.724
Base-Backbone interact. energy: 0.586
local terms energy: -59.785822
where:
bonds (distance) C4'-P energy: -17.748
bonds (distance) P-C4' energy: -18.002
flat angles C4'-P-C4' energy: -18.646
flat angles P-C4'-P energy: -10.175
tors. eta vs tors. theta energy: 4.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -339.306257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.306257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.306257 (E_RNA)
where:
Base-Base interactions energy: -235.810
where: short stacking energy: -100.059
Base-Backbone interact. energy: -0.753
local terms energy: -102.743219
where:
bonds (distance) C4'-P energy: -20.638
bonds (distance) P-C4' energy: -20.488
flat angles C4'-P-C4' energy: -19.278
flat angles P-C4'-P energy: -15.541
tors. eta vs tors. theta energy: -26.798
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: 2
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -326.478741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.478741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.478741 (E_RNA)
where:
Base-Base interactions energy: -220.570
where: short stacking energy: -88.924
Base-Backbone interact. energy: -0.369
local terms energy: -105.540343
where:
bonds (distance) C4'-P energy: -23.403
bonds (distance) P-C4' energy: -20.062
flat angles C4'-P-C4' energy: -23.124
flat angles P-C4'-P energy: -12.469
tors. eta vs tors. theta energy: -26.482
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: 10
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -304.219999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.219999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.219999 (E_RNA)
where:
Base-Base interactions energy: -210.962
where: short stacking energy: -77.426
Base-Backbone interact. energy: -0.195
local terms energy: -93.063729
where:
bonds (distance) C4'-P energy: -15.599
bonds (distance) P-C4' energy: -24.363
flat angles C4'-P-C4' energy: -19.522
flat angles P-C4'-P energy: -14.343
tors. eta vs tors. theta energy: -19.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -294.880944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.880944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.880944 (E_RNA)
where:
Base-Base interactions energy: -205.288
where: short stacking energy: -79.594
Base-Backbone interact. energy: -0.282
local terms energy: -89.311427
where:
bonds (distance) C4'-P energy: -14.482
bonds (distance) P-C4' energy: -17.595
flat angles C4'-P-C4' energy: -20.909
flat angles P-C4'-P energy: -10.123
tors. eta vs tors. theta energy: -26.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -258.577538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.577538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.577538 (E_RNA)
where:
Base-Base interactions energy: -176.094
where: short stacking energy: -76.480
Base-Backbone interact. energy: -0.331
local terms energy: -82.151896
where:
bonds (distance) C4'-P energy: -17.417
bonds (distance) P-C4' energy: -19.319
flat angles C4'-P-C4' energy: -19.116
flat angles P-C4'-P energy: -13.212
tors. eta vs tors. theta energy: -13.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -199.875160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.875160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.875160 (E_RNA)
where:
Base-Base interactions energy: -125.372
where: short stacking energy: -57.129
Base-Backbone interact. energy: -0.392
local terms energy: -74.111380
where:
bonds (distance) C4'-P energy: -16.532
bonds (distance) P-C4' energy: -16.317
flat angles C4'-P-C4' energy: -15.180
flat angles P-C4'-P energy: -12.757
tors. eta vs tors. theta energy: -13.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -187.964210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.964210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.964210 (E_RNA)
where:
Base-Base interactions energy: -115.629
where: short stacking energy: -56.799
Base-Backbone interact. energy: -0.772
local terms energy: -71.563067
where:
bonds (distance) C4'-P energy: -12.112
bonds (distance) P-C4' energy: -17.702
flat angles C4'-P-C4' energy: -18.156
flat angles P-C4'-P energy: -14.131
tors. eta vs tors. theta energy: -9.462
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: 8
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -152.930959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.930959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.930959 (E_RNA)
where:
Base-Base interactions energy: -88.293
where: short stacking energy: -49.335
Base-Backbone interact. energy: -0.423
local terms energy: -64.215464
where:
bonds (distance) C4'-P energy: -10.864
bonds (distance) P-C4' energy: -17.819
flat angles C4'-P-C4' energy: -18.406
flat angles P-C4'-P energy: -10.424
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: 9, replica: 4
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -113.788691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.788691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.788691 (E_RNA)
where:
Base-Base interactions energy: -64.623
where: short stacking energy: -26.989
Base-Backbone interact. energy: -0.837
local terms energy: -48.328739
where:
bonds (distance) C4'-P energy: -14.950
bonds (distance) P-C4' energy: -18.742
flat angles C4'-P-C4' energy: -14.628
flat angles P-C4'-P energy: -5.220
tors. eta vs tors. theta energy: 5.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -112.009420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.009420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.009420 (E_RNA)
where:
Base-Base interactions energy: -54.569
where: short stacking energy: -25.758
Base-Backbone interact. energy: -0.333
local terms energy: -57.107877
where:
bonds (distance) C4'-P energy: -19.118
bonds (distance) P-C4' energy: -12.685
flat angles C4'-P-C4' energy: -14.087
flat angles P-C4'-P energy: -13.005
tors. eta vs tors. theta energy: 1.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -329.959247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.959247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.959247 (E_RNA)
where:
Base-Base interactions energy: -228.034
where: short stacking energy: -93.154
Base-Backbone interact. energy: -0.136
local terms energy: -101.789012
where:
bonds (distance) C4'-P energy: -15.955
bonds (distance) P-C4' energy: -22.450
flat angles C4'-P-C4' energy: -19.389
flat angles P-C4'-P energy: -17.664
tors. eta vs tors. theta energy: -26.331
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: 2
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -326.567664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.567664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.567664 (E_RNA)
where:
Base-Base interactions energy: -223.948
where: short stacking energy: -96.065
Base-Backbone interact. energy: -0.122
local terms energy: -102.498447
where:
bonds (distance) C4'-P energy: -16.982
bonds (distance) P-C4' energy: -19.878
flat angles C4'-P-C4' energy: -23.707
flat angles P-C4'-P energy: -12.055
tors. eta vs tors. theta energy: -29.877
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: 3, replica: 5
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -302.592159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.592159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.592159 (E_RNA)
where:
Base-Base interactions energy: -202.585
where: short stacking energy: -82.737
Base-Backbone interact. energy: -0.239
local terms energy: -99.768459
where:
bonds (distance) C4'-P energy: -21.864
bonds (distance) P-C4' energy: -22.880
flat angles C4'-P-C4' energy: -20.302
flat angles P-C4'-P energy: -10.275
tors. eta vs tors. theta energy: -24.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -285.973895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.973895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.973895 (E_RNA)
where:
Base-Base interactions energy: -202.613
where: short stacking energy: -76.173
Base-Backbone interact. energy: -0.217
local terms energy: -83.143760
where:
bonds (distance) C4'-P energy: -17.126
bonds (distance) P-C4' energy: -19.878
flat angles C4'-P-C4' energy: -14.988
flat angles P-C4'-P energy: -9.198
tors. eta vs tors. theta energy: -21.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -258.514880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.514880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.514880 (E_RNA)
where:
Base-Base interactions energy: -165.649
where: short stacking energy: -79.136
Base-Backbone interact. energy: -0.899
local terms energy: -91.967572
where:
bonds (distance) C4'-P energy: -19.332
bonds (distance) P-C4' energy: -16.972
flat angles C4'-P-C4' energy: -21.294
flat angles P-C4'-P energy: -17.178
tors. eta vs tors. theta energy: -17.191
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: 176
Temperature: 1.150000
Total energy: -234.478195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.478195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.478195 (E_RNA)
where:
Base-Base interactions energy: -165.820
where: short stacking energy: -72.222
Base-Backbone interact. energy: -0.481
local terms energy: -68.176662
where:
bonds (distance) C4'-P energy: -14.969
bonds (distance) P-C4' energy: -14.434
flat angles C4'-P-C4' energy: -17.962
flat angles P-C4'-P energy: -9.044
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: 7, replica: 8
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -183.152349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.152349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.152349 (E_RNA)
where:
Base-Base interactions energy: -114.197
where: short stacking energy: -58.305
Base-Backbone interact. energy: -0.481
local terms energy: -68.474477
where:
bonds (distance) C4'-P energy: -18.489
bonds (distance) P-C4' energy: -19.480
flat angles C4'-P-C4' energy: -13.770
flat angles P-C4'-P energy: -10.983
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: 9
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -168.674155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.674155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.674155 (E_RNA)
where:
Base-Base interactions energy: -98.468
where: short stacking energy: -53.642
Base-Backbone interact. energy: 1.372
local terms energy: -71.577557
where:
bonds (distance) C4'-P energy: -20.624
bonds (distance) P-C4' energy: -14.637
flat angles C4'-P-C4' energy: -16.527
flat angles P-C4'-P energy: -9.606
tors. eta vs tors. theta energy: -10.183
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: 1
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -119.466431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.466431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.466431 (E_RNA)
where:
Base-Base interactions energy: -44.186
where: short stacking energy: -44.186
Base-Backbone interact. energy: -0.097
local terms energy: -75.183368
where:
bonds (distance) C4'-P energy: -20.113
bonds (distance) P-C4' energy: -18.735
flat angles C4'-P-C4' energy: -16.612
flat angles P-C4'-P energy: -12.404
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: 10, replica: 4
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -109.308615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.308615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.308615 (E_RNA)
where:
Base-Base interactions energy: -40.931
where: short stacking energy: -38.211
Base-Backbone interact. energy: 0.029
local terms energy: -68.406522
where:
bonds (distance) C4'-P energy: -18.374
bonds (distance) P-C4' energy: -20.661
flat angles C4'-P-C4' energy: -14.344
flat angles P-C4'-P energy: -8.164
tors. eta vs tors. theta energy: -6.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -332.965812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.965812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.965812 (E_RNA)
where:
Base-Base interactions energy: -233.495
where: short stacking energy: -88.380
Base-Backbone interact. energy: -0.511
local terms energy: -98.959754
where:
bonds (distance) C4'-P energy: -19.172
bonds (distance) P-C4' energy: -23.512
flat angles C4'-P-C4' energy: -22.976
flat angles P-C4'-P energy: -9.753
tors. eta vs tors. theta energy: -23.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -324.747433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.747433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.747433 (E_RNA)
where:
Base-Base interactions energy: -222.871
where: short stacking energy: -93.792
Base-Backbone interact. energy: -0.138
local terms energy: -101.738398
where:
bonds (distance) C4'-P energy: -16.378
bonds (distance) P-C4' energy: -16.681
flat angles C4'-P-C4' energy: -25.788
flat angles P-C4'-P energy: -14.824
tors. eta vs tors. theta energy: -28.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -311.873220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.873220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.873220 (E_RNA)
where:
Base-Base interactions energy: -217.332
where: short stacking energy: -86.994
Base-Backbone interact. energy: -0.206
local terms energy: -94.334872
where:
bonds (distance) C4'-P energy: -17.100
bonds (distance) P-C4' energy: -20.408
flat angles C4'-P-C4' energy: -22.024
flat angles P-C4'-P energy: -9.208
tors. eta vs tors. theta energy: -25.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -289.014587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.014587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.014587 (E_RNA)
where:
Base-Base interactions energy: -201.396
where: short stacking energy: -82.280
Base-Backbone interact. energy: 0.157
local terms energy: -87.775368
where:
bonds (distance) C4'-P energy: -18.242
bonds (distance) P-C4' energy: -20.132
flat angles C4'-P-C4' energy: -15.991
flat angles P-C4'-P energy: -11.112
tors. eta vs tors. theta energy: -22.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -248.499410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.499410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.499410 (E_RNA)
where:
Base-Base interactions energy: -167.162
where: short stacking energy: -79.924
Base-Backbone interact. energy: -0.337
local terms energy: -81.000097
where:
bonds (distance) C4'-P energy: -19.542
bonds (distance) P-C4' energy: -20.978
flat angles C4'-P-C4' energy: -20.336
flat angles P-C4'-P energy: -3.141
tors. eta vs tors. theta energy: -17.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -259.744405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.744405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.744405 (E_RNA)
where:
Base-Base interactions energy: -175.907
where: short stacking energy: -77.491
Base-Backbone interact. energy: -0.755
local terms energy: -83.082106
where:
bonds (distance) C4'-P energy: -12.925
bonds (distance) P-C4' energy: -18.822
flat angles C4'-P-C4' energy: -19.087
flat angles P-C4'-P energy: -10.309
tors. eta vs tors. theta energy: -21.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -197.901242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.901242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.901242 (E_RNA)
where:
Base-Base interactions energy: -122.892
where: short stacking energy: -55.330
Base-Backbone interact. energy: -0.319
local terms energy: -74.690320
where:
bonds (distance) C4'-P energy: -15.277
bonds (distance) P-C4' energy: -20.950
flat angles C4'-P-C4' energy: -16.000
flat angles P-C4'-P energy: -10.954
tors. eta vs tors. theta energy: -11.509
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: 8, replica: 9
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -188.874667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.874667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.874667 (E_RNA)
where:
Base-Base interactions energy: -100.308
where: short stacking energy: -58.538
Base-Backbone interact. energy: -0.119
local terms energy: -88.447743
where:
bonds (distance) C4'-P energy: -18.688
bonds (distance) P-C4' energy: -19.574
flat angles C4'-P-C4' energy: -20.535
flat angles P-C4'-P energy: -11.912
tors. eta vs tors. theta energy: -17.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -124.078467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.078467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.078467 (E_RNA)
where:
Base-Base interactions energy: -69.360
where: short stacking energy: -41.201
Base-Backbone interact. energy: -0.361
local terms energy: -54.357258
where:
bonds (distance) C4'-P energy: -15.500
bonds (distance) P-C4' energy: -18.042
flat angles C4'-P-C4' energy: -14.808
flat angles P-C4'-P energy: -8.313
tors. eta vs tors. theta energy: 2.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -104.912864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.912864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.912864 (E_RNA)
where:
Base-Base interactions energy: -44.993
where: short stacking energy: -44.053
Base-Backbone interact. energy: 0.685
local terms energy: -60.605458
where:
bonds (distance) C4'-P energy: -19.163
bonds (distance) P-C4' energy: -13.918
flat angles C4'-P-C4' energy: -11.571
flat angles P-C4'-P energy: -12.310
tors. eta vs tors. theta energy: -3.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -335.268607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.268607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.268607 (E_RNA)
where:
Base-Base interactions energy: -229.417
where: short stacking energy: -95.296
Base-Backbone interact. energy: -0.380
local terms energy: -105.471402
where:
bonds (distance) C4'-P energy: -21.475
bonds (distance) P-C4' energy: -22.918
flat angles C4'-P-C4' energy: -20.933
flat angles P-C4'-P energy: -14.024
tors. eta vs tors. theta energy: -26.122
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: 7
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -324.180325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.180325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.180325 (E_RNA)
where:
Base-Base interactions energy: -221.706
where: short stacking energy: -88.590
Base-Backbone interact. energy: -0.244
local terms energy: -102.229881
where:
bonds (distance) C4'-P energy: -18.059
bonds (distance) P-C4' energy: -24.036
flat angles C4'-P-C4' energy: -23.525
flat angles P-C4'-P energy: -13.351
tors. eta vs tors. theta energy: -23.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -287.615092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.615092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.615092 (E_RNA)
where:
Base-Base interactions energy: -198.433
where: short stacking energy: -90.622
Base-Backbone interact. energy: -0.093
local terms energy: -89.088530
where:
bonds (distance) C4'-P energy: -18.577
bonds (distance) P-C4' energy: -20.348
flat angles C4'-P-C4' energy: -18.063
flat angles P-C4'-P energy: -14.411
tors. eta vs tors. theta energy: -17.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -283.732659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.732659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.732659 (E_RNA)
where:
Base-Base interactions energy: -198.765
where: short stacking energy: -74.294
Base-Backbone interact. energy: -0.353
local terms energy: -84.614161
where:
bonds (distance) C4'-P energy: -13.653
bonds (distance) P-C4' energy: -21.316
flat angles C4'-P-C4' energy: -18.215
flat angles P-C4'-P energy: -12.584
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: 5, replica: 8
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -272.491735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.491735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.491735 (E_RNA)
where:
Base-Base interactions energy: -179.950
where: short stacking energy: -75.069
Base-Backbone interact. energy: -1.225
local terms energy: -91.316579
where:
bonds (distance) C4'-P energy: -17.735
bonds (distance) P-C4' energy: -19.205
flat angles C4'-P-C4' energy: -21.157
flat angles P-C4'-P energy: -14.360
tors. eta vs tors. theta energy: -18.858
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: 3
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -253.496525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.496525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.496525 (E_RNA)
where:
Base-Base interactions energy: -182.021
where: short stacking energy: -80.046
Base-Backbone interact. energy: -1.178
local terms energy: -70.297925
where:
bonds (distance) C4'-P energy: -12.291
bonds (distance) P-C4' energy: -12.615
flat angles C4'-P-C4' energy: -21.985
flat angles P-C4'-P energy: -9.235
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: 7, replica: 6
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -185.970784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.970784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.970784 (E_RNA)
where:
Base-Base interactions energy: -112.187
where: short stacking energy: -61.962
Base-Backbone interact. energy: -1.996
local terms energy: -71.787608
where:
bonds (distance) C4'-P energy: -17.658
bonds (distance) P-C4' energy: -17.033
flat angles C4'-P-C4' energy: -14.896
flat angles P-C4'-P energy: -8.266
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: 8, replica: 9
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -164.290023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.290023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.290023 (E_RNA)
where:
Base-Base interactions energy: -99.133
where: short stacking energy: -43.151
Base-Backbone interact. energy: -0.126
local terms energy: -65.031171
where:
bonds (distance) C4'-P energy: -17.396
bonds (distance) P-C4' energy: -16.053
flat angles C4'-P-C4' energy: -13.306
flat angles P-C4'-P energy: -8.458
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: 9, replica: 4
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -112.616520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.616520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.616520 (E_RNA)
where:
Base-Base interactions energy: -56.109
where: short stacking energy: -27.888
Base-Backbone interact. energy: 0.027
local terms energy: -56.535146
where:
bonds (distance) C4'-P energy: -14.052
bonds (distance) P-C4' energy: -19.968
flat angles C4'-P-C4' energy: -11.498
flat angles P-C4'-P energy: -8.512
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: 1
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -107.614176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.614176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.614176 (E_RNA)
where:
Base-Base interactions energy: -42.618
where: short stacking energy: -19.633
Base-Backbone interact. energy: 1.882
local terms energy: -66.877782
where:
bonds (distance) C4'-P energy: -21.216
bonds (distance) P-C4' energy: -18.737
flat angles C4'-P-C4' energy: -17.681
flat angles P-C4'-P energy: -15.052
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: 1, replica: 2
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -334.430132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.430132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.430132 (E_RNA)
where:
Base-Base interactions energy: -234.019
where: short stacking energy: -89.470
Base-Backbone interact. energy: -0.944
local terms energy: -99.466421
where:
bonds (distance) C4'-P energy: -18.185
bonds (distance) P-C4' energy: -17.106
flat angles C4'-P-C4' energy: -21.570
flat angles P-C4'-P energy: -14.801
tors. eta vs tors. theta energy: -27.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -323.885746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.885746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.885746 (E_RNA)
where:
Base-Base interactions energy: -227.448
where: short stacking energy: -88.021
Base-Backbone interact. energy: -0.020
local terms energy: -96.417245
where:
bonds (distance) C4'-P energy: -19.338
bonds (distance) P-C4' energy: -20.385
flat angles C4'-P-C4' energy: -17.045
flat angles P-C4'-P energy: -9.950
tors. eta vs tors. theta energy: -29.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -320.248560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.248560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.248560 (E_RNA)
where:
Base-Base interactions energy: -226.815
where: short stacking energy: -91.848
Base-Backbone interact. energy: -0.492
local terms energy: -92.941662
where:
bonds (distance) C4'-P energy: -21.201
bonds (distance) P-C4' energy: -17.319
flat angles C4'-P-C4' energy: -21.251
flat angles P-C4'-P energy: -11.439
tors. eta vs tors. theta energy: -21.732
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: 10
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -286.929351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.929351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.929351 (E_RNA)
where:
Base-Base interactions energy: -196.375
where: short stacking energy: -67.173
Base-Backbone interact. energy: -1.018
local terms energy: -89.536501
where:
bonds (distance) C4'-P energy: -12.874
bonds (distance) P-C4' energy: -21.580
flat angles C4'-P-C4' energy: -22.200
flat angles P-C4'-P energy: -8.330
tors. eta vs tors. theta energy: -24.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -280.505178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.505178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.505178 (E_RNA)
where:
Base-Base interactions energy: -181.686
where: short stacking energy: -90.061
Base-Backbone interact. energy: -0.989
local terms energy: -97.830200
where:
bonds (distance) C4'-P energy: -18.717
bonds (distance) P-C4' energy: -17.476
flat angles C4'-P-C4' energy: -20.156
flat angles P-C4'-P energy: -15.042
tors. eta vs tors. theta energy: -26.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -212.050936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.050936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.050936 (E_RNA)
where:
Base-Base interactions energy: -123.045
where: short stacking energy: -68.320
Base-Backbone interact. energy: 2.433
local terms energy: -91.439267
where:
bonds (distance) C4'-P energy: -19.301
bonds (distance) P-C4' energy: -22.579
flat angles C4'-P-C4' energy: -18.399
flat angles P-C4'-P energy: -12.203
tors. eta vs tors. theta energy: -18.958
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: 3
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -254.020524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.020524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.020524 (E_RNA)
where:
Base-Base interactions energy: -162.627
where: short stacking energy: -57.756
Base-Backbone interact. energy: -0.172
local terms energy: -91.221902
where:
bonds (distance) C4'-P energy: -19.662
bonds (distance) P-C4' energy: -19.694
flat angles C4'-P-C4' energy: -22.584
flat angles P-C4'-P energy: -13.523
tors. eta vs tors. theta energy: -15.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -176.906122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.906122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.906122 (E_RNA)
where:
Base-Base interactions energy: -103.660
where: short stacking energy: -55.686
Base-Backbone interact. energy: -0.760
local terms energy: -72.486421
where:
bonds (distance) C4'-P energy: -18.770
bonds (distance) P-C4' energy: -19.502
flat angles C4'-P-C4' energy: -19.276
flat angles P-C4'-P energy: -7.860
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: 9, replica: 4
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -128.774988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.774988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.774988 (E_RNA)
where:
Base-Base interactions energy: -61.615
where: short stacking energy: -26.498
Base-Backbone interact. energy: 0.748
local terms energy: -67.907584
where:
bonds (distance) C4'-P energy: -20.736
bonds (distance) P-C4' energy: -23.317
flat angles C4'-P-C4' energy: -15.965
flat angles P-C4'-P energy: -7.159
tors. eta vs tors. theta energy: -0.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -98.549087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.549087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.549087 (E_RNA)
where:
Base-Base interactions energy: -40.785
where: short stacking energy: -37.783
Base-Backbone interact. energy: -0.172
local terms energy: -57.591758
where:
bonds (distance) C4'-P energy: -14.420
bonds (distance) P-C4' energy: -19.879
flat angles C4'-P-C4' energy: -14.213
flat angles P-C4'-P energy: -8.383
tors. eta vs tors. theta energy: -0.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -334.955656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.955656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.955656 (E_RNA)
where:
Base-Base interactions energy: -230.459
where: short stacking energy: -82.858
Base-Backbone interact. energy: -0.022
local terms energy: -104.475072
where:
bonds (distance) C4'-P energy: -20.798
bonds (distance) P-C4' energy: -23.160
flat angles C4'-P-C4' energy: -20.348
flat angles P-C4'-P energy: -12.139
tors. eta vs tors. theta energy: -28.029
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: 2
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -321.599232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.599232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.599232 (E_RNA)
where:
Base-Base interactions energy: -220.215
where: short stacking energy: -95.631
Base-Backbone interact. energy: -0.095
local terms energy: -101.289058
where:
bonds (distance) C4'-P energy: -17.049
bonds (distance) P-C4' energy: -22.582
flat angles C4'-P-C4' energy: -21.821
flat angles P-C4'-P energy: -15.510
tors. eta vs tors. theta energy: -24.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -318.270581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.270581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.270581 (E_RNA)
where:
Base-Base interactions energy: -222.490
where: short stacking energy: -92.758
Base-Backbone interact. energy: -0.800
local terms energy: -94.980699
where:
bonds (distance) C4'-P energy: -15.110
bonds (distance) P-C4' energy: -19.352
flat angles C4'-P-C4' energy: -21.867
flat angles P-C4'-P energy: -13.975
tors. eta vs tors. theta energy: -24.678
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: 10
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -285.564021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.564021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.564021 (E_RNA)
where:
Base-Base interactions energy: -196.682
where: short stacking energy: -81.252
Base-Backbone interact. energy: -0.181
local terms energy: -88.700550
where:
bonds (distance) C4'-P energy: -17.248
bonds (distance) P-C4' energy: -17.456
flat angles C4'-P-C4' energy: -19.983
flat angles P-C4'-P energy: -12.184
tors. eta vs tors. theta energy: -21.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -273.662232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.662232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.662232 (E_RNA)
where:
Base-Base interactions energy: -181.577
where: short stacking energy: -68.833
Base-Backbone interact. energy: 0.336
local terms energy: -92.420886
where:
bonds (distance) C4'-P energy: -21.150
bonds (distance) P-C4' energy: -21.010
flat angles C4'-P-C4' energy: -17.980
flat angles P-C4'-P energy: -16.233
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: 6, replica: 6
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -184.327983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.327983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.327983 (E_RNA)
where:
Base-Base interactions energy: -108.638
where: short stacking energy: -55.201
Base-Backbone interact. energy: -0.855
local terms energy: -74.835268
where:
bonds (distance) C4'-P energy: -14.320
bonds (distance) P-C4' energy: -19.530
flat angles C4'-P-C4' energy: -15.542
flat angles P-C4'-P energy: -13.062
tors. eta vs tors. theta energy: -12.382
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: 7, replica: 3
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -272.782751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.782751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.782751 (E_RNA)
where:
Base-Base interactions energy: -176.834
where: short stacking energy: -76.276
Base-Backbone interact. energy: -0.659
local terms energy: -95.289585
where:
bonds (distance) C4'-P energy: -15.984
bonds (distance) P-C4' energy: -23.484
flat angles C4'-P-C4' energy: -19.464
flat angles P-C4'-P energy: -16.128
tors. eta vs tors. theta energy: -20.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -164.584257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.584257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.584257 (E_RNA)
where:
Base-Base interactions energy: -101.612
where: short stacking energy: -51.625
Base-Backbone interact. energy: -0.170
local terms energy: -62.801920
where:
bonds (distance) C4'-P energy: -14.654
bonds (distance) P-C4' energy: -19.764
flat angles C4'-P-C4' energy: -14.586
flat angles P-C4'-P energy: -3.318
tors. eta vs tors. theta energy: -10.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -103.031948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.031948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.031948 (E_RNA)
where:
Base-Base interactions energy: -37.486
where: short stacking energy: -36.905
Base-Backbone interact. energy: 0.109
local terms energy: -65.654599
where:
bonds (distance) C4'-P energy: -20.352
bonds (distance) P-C4' energy: -16.091
flat angles C4'-P-C4' energy: -13.465
flat angles P-C4'-P energy: -10.671
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: 10, replica: 4
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -118.593053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.593053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.593053 (E_RNA)
where:
Base-Base interactions energy: -62.698
where: short stacking energy: -45.133
Base-Backbone interact. energy: -0.585
local terms energy: -55.310685
where:
bonds (distance) C4'-P energy: -11.761
bonds (distance) P-C4' energy: -13.030
flat angles C4'-P-C4' energy: -17.393
flat angles P-C4'-P energy: -5.330
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: 1, replica: 5
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -313.889815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.889815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.889815 (E_RNA)
where:
Base-Base interactions energy: -229.383
where: short stacking energy: -98.295
Base-Backbone interact. energy: -0.573
local terms energy: -83.933442
where:
bonds (distance) C4'-P energy: -14.876
bonds (distance) P-C4' energy: -20.257
flat angles C4'-P-C4' energy: -21.747
flat angles P-C4'-P energy: 0.349
tors. eta vs tors. theta energy: -27.403
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: 2
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -329.945212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.945212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.945212 (E_RNA)
where:
Base-Base interactions energy: -233.767
where: short stacking energy: -106.705
Base-Backbone interact. energy: -0.278
local terms energy: -95.899545
where:
bonds (distance) C4'-P energy: -17.014
bonds (distance) P-C4' energy: -16.720
flat angles C4'-P-C4' energy: -21.551
flat angles P-C4'-P energy: -13.654
tors. eta vs tors. theta energy: -26.961
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: 3, replica: 7
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -323.875204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.875204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.875204 (E_RNA)
where:
Base-Base interactions energy: -222.851
where: short stacking energy: -92.557
Base-Backbone interact. energy: -0.907
local terms energy: -100.116987
where:
bonds (distance) C4'-P energy: -21.986
bonds (distance) P-C4' energy: -19.107
flat angles C4'-P-C4' energy: -19.632
flat angles P-C4'-P energy: -16.585
tors. eta vs tors. theta energy: -22.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -277.854918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.854918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.854918 (E_RNA)
where:
Base-Base interactions energy: -182.054
where: short stacking energy: -85.418
Base-Backbone interact. energy: -0.895
local terms energy: -94.905689
where:
bonds (distance) C4'-P energy: -20.012
bonds (distance) P-C4' energy: -14.416
flat angles C4'-P-C4' energy: -22.728
flat angles P-C4'-P energy: -11.929
tors. eta vs tors. theta energy: -25.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -268.563975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.563975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.563975 (E_RNA)
where:
Base-Base interactions energy: -184.028
where: short stacking energy: -85.199
Base-Backbone interact. energy: -1.391
local terms energy: -83.145005
where:
bonds (distance) C4'-P energy: -16.084
bonds (distance) P-C4' energy: -17.034
flat angles C4'-P-C4' energy: -22.119
flat angles P-C4'-P energy: -8.670
tors. eta vs tors. theta energy: -19.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -240.863763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.863763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.863763 (E_RNA)
where:
Base-Base interactions energy: -162.222
where: short stacking energy: -62.132
Base-Backbone interact. energy: -0.175
local terms energy: -78.467638
where:
bonds (distance) C4'-P energy: -12.984
bonds (distance) P-C4' energy: -22.506
flat angles C4'-P-C4' energy: -20.496
flat angles P-C4'-P energy: -8.369
tors. eta vs tors. theta energy: -14.113
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: 6
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -179.546506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.546506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.546506 (E_RNA)
where:
Base-Base interactions energy: -99.308
where: short stacking energy: -53.857
Base-Backbone interact. energy: -0.479
local terms energy: -79.759192
where:
bonds (distance) C4'-P energy: -13.710
bonds (distance) P-C4' energy: -14.727
flat angles C4'-P-C4' energy: -19.005
flat angles P-C4'-P energy: -10.803
tors. eta vs tors. theta energy: -21.514
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: 8, replica: 1
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -106.654079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.654079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.654079 (E_RNA)
where:
Base-Base interactions energy: -40.645
where: short stacking energy: -34.195
Base-Backbone interact. energy: -0.533
local terms energy: -65.475555
where:
bonds (distance) C4'-P energy: -16.677
bonds (distance) P-C4' energy: -21.038
flat angles C4'-P-C4' energy: -14.629
flat angles P-C4'-P energy: -10.072
tors. eta vs tors. theta energy: -3.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -108.394194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.394194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.394194 (E_RNA)
where:
Base-Base interactions energy: -42.592
where: short stacking energy: -41.334
Base-Backbone interact. energy: -0.201
local terms energy: -65.601137
where:
bonds (distance) C4'-P energy: -17.686
bonds (distance) P-C4' energy: -21.214
flat angles C4'-P-C4' energy: -18.628
flat angles P-C4'-P energy: -4.148
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: 4
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -108.859056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.859056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.859056 (E_RNA)
where:
Base-Base interactions energy: -49.243
where: short stacking energy: -26.689
Base-Backbone interact. energy: -0.787
local terms energy: -58.829680
where:
bonds (distance) C4'-P energy: -10.086
bonds (distance) P-C4' energy: -20.225
flat angles C4'-P-C4' energy: -17.505
flat angles P-C4'-P energy: -6.580
tors. eta vs tors. theta energy: -4.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -337.442766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.442766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.442766 (E_RNA)
where:
Base-Base interactions energy: -227.761
where: short stacking energy: -102.616
Base-Backbone interact. energy: -0.089
local terms energy: -109.592823
where:
bonds (distance) C4'-P energy: -22.861
bonds (distance) P-C4' energy: -21.193
flat angles C4'-P-C4' energy: -23.394
flat angles P-C4'-P energy: -12.528
tors. eta vs tors. theta energy: -29.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -307.241857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.241857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.241857 (E_RNA)
where:
Base-Base interactions energy: -214.385
where: short stacking energy: -84.896
Base-Backbone interact. energy: -0.110
local terms energy: -92.746985
where:
bonds (distance) C4'-P energy: -21.072
bonds (distance) P-C4' energy: -21.707
flat angles C4'-P-C4' energy: -17.946
flat angles P-C4'-P energy: -4.579
tors. eta vs tors. theta energy: -27.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -324.879208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.879208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.879208 (E_RNA)
where:
Base-Base interactions energy: -224.367
where: short stacking energy: -84.229
Base-Backbone interact. energy: -0.584
local terms energy: -99.928584
where:
bonds (distance) C4'-P energy: -19.412
bonds (distance) P-C4' energy: -20.233
flat angles C4'-P-C4' energy: -21.351
flat angles P-C4'-P energy: -12.628
tors. eta vs tors. theta energy: -26.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -262.375876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.375876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.375876 (E_RNA)
where:
Base-Base interactions energy: -181.776
where: short stacking energy: -87.928
Base-Backbone interact. energy: -0.604
local terms energy: -79.995682
where:
bonds (distance) C4'-P energy: -9.263
bonds (distance) P-C4' energy: -20.838
flat angles C4'-P-C4' energy: -19.257
flat angles P-C4'-P energy: -12.179
tors. eta vs tors. theta energy: -18.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -276.022592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.022592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.022592 (E_RNA)
where:
Base-Base interactions energy: -183.473
where: short stacking energy: -74.376
Base-Backbone interact. energy: -0.009
local terms energy: -92.540889
where:
bonds (distance) C4'-P energy: -19.126
bonds (distance) P-C4' energy: -18.623
flat angles C4'-P-C4' energy: -16.754
flat angles P-C4'-P energy: -18.438
tors. eta vs tors. theta energy: -19.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -267.449146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.449146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.449146 (E_RNA)
where:
Base-Base interactions energy: -179.076
where: short stacking energy: -70.301
Base-Backbone interact. energy: -1.009
local terms energy: -87.364183
where:
bonds (distance) C4'-P energy: -17.392
bonds (distance) P-C4' energy: -17.890
flat angles C4'-P-C4' energy: -21.685
flat angles P-C4'-P energy: -10.706
tors. eta vs tors. theta energy: -19.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -113.522932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.522932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.522932 (E_RNA)
where:
Base-Base interactions energy: -49.664
where: short stacking energy: -37.780
Base-Backbone interact. energy: -0.127
local terms energy: -63.732584
where:
bonds (distance) C4'-P energy: -20.167
bonds (distance) P-C4' energy: -13.092
flat angles C4'-P-C4' energy: -14.573
flat angles P-C4'-P energy: -12.909
tors. eta vs tors. theta energy: -2.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -175.114832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.114832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.114832 (E_RNA)
where:
Base-Base interactions energy: -107.933
where: short stacking energy: -50.107
Base-Backbone interact. energy: 2.412
local terms energy: -69.593883
where:
bonds (distance) C4'-P energy: -14.971
bonds (distance) P-C4' energy: -15.440
flat angles C4'-P-C4' energy: -19.815
flat angles P-C4'-P energy: -9.942
tors. eta vs tors. theta energy: -9.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -103.801857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.801857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.801857 (E_RNA)
where:
Base-Base interactions energy: -55.366
where: short stacking energy: -21.700
Base-Backbone interact. energy: 0.636
local terms energy: -49.072192
where:
bonds (distance) C4'-P energy: -20.034
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -9.407
flat angles P-C4'-P energy: -4.965
tors. eta vs tors. theta energy: 1.536
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: 9
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -108.824374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.824374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.824374 (E_RNA)
where:
Base-Base interactions energy: -35.364
where: short stacking energy: -35.764
Base-Backbone interact. energy: 1.313
local terms energy: -74.773218
where:
bonds (distance) C4'-P energy: -18.994
bonds (distance) P-C4' energy: -15.220
flat angles C4'-P-C4' energy: -13.185
flat angles P-C4'-P energy: -14.632
tors. eta vs tors. theta energy: -12.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -332.155051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.155051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.155051 (E_RNA)
where:
Base-Base interactions energy: -224.665
where: short stacking energy: -98.148
Base-Backbone interact. energy: -0.341
local terms energy: -107.148939
where:
bonds (distance) C4'-P energy: -21.244
bonds (distance) P-C4' energy: -19.058
flat angles C4'-P-C4' energy: -20.736
flat angles P-C4'-P energy: -18.628
tors. eta vs tors. theta energy: -27.483
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: 2, replica: 7
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -318.471125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.471125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.471125 (E_RNA)
where:
Base-Base interactions energy: -221.391
where: short stacking energy: -92.066
Base-Backbone interact. energy: -0.814
local terms energy: -96.265892
where:
bonds (distance) C4'-P energy: -16.267
bonds (distance) P-C4' energy: -24.134
flat angles C4'-P-C4' energy: -20.286
flat angles P-C4'-P energy: -14.398
tors. eta vs tors. theta energy: -21.180
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: 183
Temperature: 1.000000
Total energy: -302.612221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.612221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.612221 (E_RNA)
where:
Base-Base interactions energy: -210.825
where: short stacking energy: -82.394
Base-Backbone interact. energy: 0.651
local terms energy: -92.438466
where:
bonds (distance) C4'-P energy: -22.032
bonds (distance) P-C4' energy: -20.165
flat angles C4'-P-C4' energy: -15.229
flat angles P-C4'-P energy: -11.952
tors. eta vs tors. theta energy: -23.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -267.361448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.361448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.361448 (E_RNA)
where:
Base-Base interactions energy: -196.237
where: short stacking energy: -76.985
Base-Backbone interact. energy: -0.042
local terms energy: -71.082539
where:
bonds (distance) C4'-P energy: -15.857
bonds (distance) P-C4' energy: -15.733
flat angles C4'-P-C4' energy: -12.730
flat angles P-C4'-P energy: -8.124
tors. eta vs tors. theta energy: -18.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -256.244237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.244237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.244237 (E_RNA)
where:
Base-Base interactions energy: -171.728
where: short stacking energy: -68.979
Base-Backbone interact. energy: -0.248
local terms energy: -84.268482
where:
bonds (distance) C4'-P energy: -15.429
bonds (distance) P-C4' energy: -21.387
flat angles C4'-P-C4' energy: -22.947
flat angles P-C4'-P energy: -10.450
tors. eta vs tors. theta energy: -14.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -273.903479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.903479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.903479 (E_RNA)
where:
Base-Base interactions energy: -179.870
where: short stacking energy: -77.319
Base-Backbone interact. energy: -0.877
local terms energy: -93.156430
where:
bonds (distance) C4'-P energy: -19.611
bonds (distance) P-C4' energy: -16.202
flat angles C4'-P-C4' energy: -16.583
flat angles P-C4'-P energy: -18.666
tors. eta vs tors. theta energy: -22.094
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: 1
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -123.391848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.391848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.391848 (E_RNA)
where:
Base-Base interactions energy: -53.060
where: short stacking energy: -53.060
Base-Backbone interact. energy: -0.269
local terms energy: -70.063020
where:
bonds (distance) C4'-P energy: -17.416
bonds (distance) P-C4' energy: -15.416
flat angles C4'-P-C4' energy: -15.861
flat angles P-C4'-P energy: -9.821
tors. eta vs tors. theta energy: -11.548
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: 183
Temperature: 1.250000
Total energy: -129.525618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.525618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.525618 (E_RNA)
where:
Base-Base interactions energy: -72.488
where: short stacking energy: -38.353
Base-Backbone interact. energy: 2.293
local terms energy: -59.330409
where:
bonds (distance) C4'-P energy: -20.707
bonds (distance) P-C4' energy: -17.343
flat angles C4'-P-C4' energy: -10.970
flat angles P-C4'-P energy: -11.186
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: 6
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -156.776363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.776363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.776363 (E_RNA)
where:
Base-Base interactions energy: -88.886
where: short stacking energy: -46.372
Base-Backbone interact. energy: -0.692
local terms energy: -67.197790
where:
bonds (distance) C4'-P energy: -15.114
bonds (distance) P-C4' energy: -14.515
flat angles C4'-P-C4' energy: -17.051
flat angles P-C4'-P energy: -11.794
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: 10, replica: 9
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -98.219851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.219851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.219851 (E_RNA)
where:
Base-Base interactions energy: -35.238
where: short stacking energy: -25.535
Base-Backbone interact. energy: -0.424
local terms energy: -62.557364
where:
bonds (distance) C4'-P energy: -16.903
bonds (distance) P-C4' energy: -18.989
flat angles C4'-P-C4' energy: -16.092
flat angles P-C4'-P energy: -9.689
tors. eta vs tors. theta energy: -0.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -328.285641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.285641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.285641 (E_RNA)
where:
Base-Base interactions energy: -228.463
where: short stacking energy: -93.505
Base-Backbone interact. energy: -0.094
local terms energy: -99.728980
where:
bonds (distance) C4'-P energy: -18.965
bonds (distance) P-C4' energy: -22.109
flat angles C4'-P-C4' energy: -19.675
flat angles P-C4'-P energy: -15.920
tors. eta vs tors. theta energy: -23.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -319.659374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.659374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.659374 (E_RNA)
where:
Base-Base interactions energy: -221.299
where: short stacking energy: -94.146
Base-Backbone interact. energy: -0.193
local terms energy: -98.167581
where:
bonds (distance) C4'-P energy: -18.937
bonds (distance) P-C4' energy: -18.897
flat angles C4'-P-C4' energy: -22.692
flat angles P-C4'-P energy: -14.959
tors. eta vs tors. theta energy: -22.683
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: 3
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -291.413454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.413454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.413454 (E_RNA)
where:
Base-Base interactions energy: -208.311
where: short stacking energy: -78.015
Base-Backbone interact. energy: -0.123
local terms energy: -82.978922
where:
bonds (distance) C4'-P energy: -14.476
bonds (distance) P-C4' energy: -21.056
flat angles C4'-P-C4' energy: -18.458
flat angles P-C4'-P energy: -9.252
tors. eta vs tors. theta energy: -19.735
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: 184
Temperature: 1.050000
Total energy: -292.120158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.120158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.120158 (E_RNA)
where:
Base-Base interactions energy: -210.291
where: short stacking energy: -83.593
Base-Backbone interact. energy: -0.230
local terms energy: -81.598585
where:
bonds (distance) C4'-P energy: -16.134
bonds (distance) P-C4' energy: -20.981
flat angles C4'-P-C4' energy: -20.748
flat angles P-C4'-P energy: -3.036
tors. eta vs tors. theta energy: -20.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -265.088717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.088717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.088717 (E_RNA)
where:
Base-Base interactions energy: -169.593
where: short stacking energy: -73.126
Base-Backbone interact. energy: -0.608
local terms energy: -94.887410
where:
bonds (distance) C4'-P energy: -19.761
bonds (distance) P-C4' energy: -20.368
flat angles C4'-P-C4' energy: -20.188
flat angles P-C4'-P energy: -13.779
tors. eta vs tors. theta energy: -20.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -251.811202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.811202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.811202 (E_RNA)
where:
Base-Base interactions energy: -171.053
where: short stacking energy: -70.967
Base-Backbone interact. energy: -0.702
local terms energy: -80.056233
where:
bonds (distance) C4'-P energy: -14.912
bonds (distance) P-C4' energy: -17.459
flat angles C4'-P-C4' energy: -19.894
flat angles P-C4'-P energy: -12.549
tors. eta vs tors. theta energy: -15.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -128.971234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.971234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.971234 (E_RNA)
where:
Base-Base interactions energy: -49.556
where: short stacking energy: -48.773
Base-Backbone interact. energy: 1.499
local terms energy: -80.914195
where:
bonds (distance) C4'-P energy: -19.867
bonds (distance) P-C4' energy: -24.367
flat angles C4'-P-C4' energy: -18.086
flat angles P-C4'-P energy: -8.192
tors. eta vs tors. theta energy: -10.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -116.338844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.338844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.338844 (E_RNA)
where:
Base-Base interactions energy: -53.364
where: short stacking energy: -44.469
Base-Backbone interact. energy: -0.793
local terms energy: -62.181582
where:
bonds (distance) C4'-P energy: -20.530
bonds (distance) P-C4' energy: -19.322
flat angles C4'-P-C4' energy: -5.770
flat angles P-C4'-P energy: -9.210
tors. eta vs tors. theta energy: -7.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -184.167024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.167024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.167024 (E_RNA)
where:
Base-Base interactions energy: -106.887
where: short stacking energy: -66.392
Base-Backbone interact. energy: -0.020
local terms energy: -77.260066
where:
bonds (distance) C4'-P energy: -11.037
bonds (distance) P-C4' energy: -17.678
flat angles C4'-P-C4' energy: -22.040
flat angles P-C4'-P energy: -7.449
tors. eta vs tors. theta energy: -19.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -109.738350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.738350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.738350 (E_RNA)
where:
Base-Base interactions energy: -43.280
where: short stacking energy: -43.280
Base-Backbone interact. energy: -0.338
local terms energy: -66.119728
where:
bonds (distance) C4'-P energy: -13.548
bonds (distance) P-C4' energy: -23.032
flat angles C4'-P-C4' energy: -18.719
flat angles P-C4'-P energy: -7.257
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: 1, replica: 7
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -331.498817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.498817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.498817 (E_RNA)
where:
Base-Base interactions energy: -235.956
where: short stacking energy: -93.003
Base-Backbone interact. energy: -0.355
local terms energy: -95.188449
where:
bonds (distance) C4'-P energy: -19.487
bonds (distance) P-C4' energy: -19.912
flat angles C4'-P-C4' energy: -16.437
flat angles P-C4'-P energy: -19.124
tors. eta vs tors. theta energy: -20.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -322.199847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.199847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.199847 (E_RNA)
where:
Base-Base interactions energy: -224.592
where: short stacking energy: -86.811
Base-Backbone interact. energy: -0.276
local terms energy: -97.331791
where:
bonds (distance) C4'-P energy: -20.787
bonds (distance) P-C4' energy: -22.564
flat angles C4'-P-C4' energy: -17.861
flat angles P-C4'-P energy: -14.516
tors. eta vs tors. theta energy: -21.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -278.153502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.153502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.153502 (E_RNA)
where:
Base-Base interactions energy: -188.483
where: short stacking energy: -79.098
Base-Backbone interact. energy: -0.007
local terms energy: -89.663640
where:
bonds (distance) C4'-P energy: -19.478
bonds (distance) P-C4' energy: -18.200
flat angles C4'-P-C4' energy: -18.330
flat angles P-C4'-P energy: -15.770
tors. eta vs tors. theta energy: -17.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -285.530167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.530167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.530167 (E_RNA)
where:
Base-Base interactions energy: -194.992
where: short stacking energy: -75.207
Base-Backbone interact. energy: -0.186
local terms energy: -90.352164
where:
bonds (distance) C4'-P energy: -17.274
bonds (distance) P-C4' energy: -18.645
flat angles C4'-P-C4' energy: -24.510
flat angles P-C4'-P energy: -11.074
tors. eta vs tors. theta energy: -18.850
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: 5
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -281.440935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.440935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.440935 (E_RNA)
where:
Base-Base interactions energy: -198.468
where: short stacking energy: -76.512
Base-Backbone interact. energy: 1.068
local terms energy: -84.041704
where:
bonds (distance) C4'-P energy: -14.975
bonds (distance) P-C4' energy: -22.718
flat angles C4'-P-C4' energy: -21.784
flat angles P-C4'-P energy: -5.200
tors. eta vs tors. theta energy: -19.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -248.727835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.727835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.727835 (E_RNA)
where:
Base-Base interactions energy: -159.793
where: short stacking energy: -68.806
Base-Backbone interact. energy: -0.219
local terms energy: -88.715728
where:
bonds (distance) C4'-P energy: -18.473
bonds (distance) P-C4' energy: -21.667
flat angles C4'-P-C4' energy: -20.652
flat angles P-C4'-P energy: -13.564
tors. eta vs tors. theta energy: -14.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -121.029138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.029138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.029138 (E_RNA)
where:
Base-Base interactions energy: -59.529
where: short stacking energy: -31.335
Base-Backbone interact. energy: -1.198
local terms energy: -60.301784
where:
bonds (distance) C4'-P energy: -15.437
bonds (distance) P-C4' energy: -19.868
flat angles C4'-P-C4' energy: -11.366
flat angles P-C4'-P energy: -9.676
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: 8, replica: 6
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -173.956808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.956808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.956808 (E_RNA)
where:
Base-Base interactions energy: -101.733
where: short stacking energy: -60.386
Base-Backbone interact. energy: -0.041
local terms energy: -72.182222
where:
bonds (distance) C4'-P energy: -16.488
bonds (distance) P-C4' energy: -18.290
flat angles C4'-P-C4' energy: -18.935
flat angles P-C4'-P energy: -4.005
tors. eta vs tors. theta energy: -14.464
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: 1
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -111.712540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.712540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.712540 (E_RNA)
where:
Base-Base interactions energy: -51.333
where: short stacking energy: -42.028
Base-Backbone interact. energy: -0.148
local terms energy: -60.231041
where:
bonds (distance) C4'-P energy: -17.699
bonds (distance) P-C4' energy: -12.233
flat angles C4'-P-C4' energy: -12.284
flat angles P-C4'-P energy: -12.676
tors. eta vs tors. theta energy: -5.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -85.144740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.144740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.144740 (E_RNA)
where:
Base-Base interactions energy: -19.882
where: short stacking energy: -11.722
Base-Backbone interact. energy: -0.354
local terms energy: -64.909080
where:
bonds (distance) C4'-P energy: -19.520
bonds (distance) P-C4' energy: -21.414
flat angles C4'-P-C4' energy: -15.249
flat angles P-C4'-P energy: -11.426
tors. eta vs tors. theta energy: 2.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -328.803368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.803368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.803368 (E_RNA)
where:
Base-Base interactions energy: -226.948
where: short stacking energy: -91.278
Base-Backbone interact. energy: -0.139
local terms energy: -101.715644
where:
bonds (distance) C4'-P energy: -18.579
bonds (distance) P-C4' energy: -22.309
flat angles C4'-P-C4' energy: -22.853
flat angles P-C4'-P energy: -14.272
tors. eta vs tors. theta energy: -23.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -321.799186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.799186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.799186 (E_RNA)
where:
Base-Base interactions energy: -217.533
where: short stacking energy: -95.099
Base-Backbone interact. energy: -0.136
local terms energy: -104.130393
where:
bonds (distance) C4'-P energy: -19.877
bonds (distance) P-C4' energy: -20.012
flat angles C4'-P-C4' energy: -23.462
flat angles P-C4'-P energy: -15.484
tors. eta vs tors. theta energy: -25.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -283.195864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.195864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.195864 (E_RNA)
where:
Base-Base interactions energy: -193.002
where: short stacking energy: -78.032
Base-Backbone interact. energy: -0.146
local terms energy: -90.048619
where:
bonds (distance) C4'-P energy: -16.597
bonds (distance) P-C4' energy: -19.170
flat angles C4'-P-C4' energy: -16.724
flat angles P-C4'-P energy: -14.004
tors. eta vs tors. theta energy: -23.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -277.463638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.463638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.463638 (E_RNA)
where:
Base-Base interactions energy: -185.002
where: short stacking energy: -76.332
Base-Backbone interact. energy: -0.095
local terms energy: -92.366506
where:
bonds (distance) C4'-P energy: -17.264
bonds (distance) P-C4' energy: -23.498
flat angles C4'-P-C4' energy: -21.284
flat angles P-C4'-P energy: -8.111
tors. eta vs tors. theta energy: -22.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -254.426096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.426096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.426096 (E_RNA)
where:
Base-Base interactions energy: -180.946
where: short stacking energy: -72.445
Base-Backbone interact. energy: -0.525
local terms energy: -72.954282
where:
bonds (distance) C4'-P energy: -10.104
bonds (distance) P-C4' energy: -20.305
flat angles C4'-P-C4' energy: -19.706
flat angles P-C4'-P energy: -9.535
tors. eta vs tors. theta energy: -13.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -297.948229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.948229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.948229 (E_RNA)
where:
Base-Base interactions energy: -206.511
where: short stacking energy: -84.004
Base-Backbone interact. energy: -0.029
local terms energy: -91.408215
where:
bonds (distance) C4'-P energy: -21.833
bonds (distance) P-C4' energy: -19.180
flat angles C4'-P-C4' energy: -16.407
flat angles P-C4'-P energy: -6.254
tors. eta vs tors. theta energy: -27.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -189.833587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.833587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.833587 (E_RNA)
where:
Base-Base interactions energy: -115.202
where: short stacking energy: -54.475
Base-Backbone interact. energy: -0.077
local terms energy: -74.554797
where:
bonds (distance) C4'-P energy: -16.813
bonds (distance) P-C4' energy: -20.712
flat angles C4'-P-C4' energy: -19.179
flat angles P-C4'-P energy: -9.219
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: 8, replica: 4
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -123.004181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.004181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.004181 (E_RNA)
where:
Base-Base interactions energy: -65.140
where: short stacking energy: -48.196
Base-Backbone interact. energy: 0.928
local terms energy: -58.791961
where:
bonds (distance) C4'-P energy: -14.379
bonds (distance) P-C4' energy: -16.218
flat angles C4'-P-C4' energy: -16.097
flat angles P-C4'-P energy: -5.911
tors. eta vs tors. theta energy: -6.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -106.578296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.578296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.578296 (E_RNA)
where:
Base-Base interactions energy: -41.309
where: short stacking energy: -33.251
Base-Backbone interact. energy: -0.117
local terms energy: -65.152102
where:
bonds (distance) C4'-P energy: -14.599
bonds (distance) P-C4' energy: -23.705
flat angles C4'-P-C4' energy: -13.316
flat angles P-C4'-P energy: -12.214
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: 10, replica: 1
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -88.948237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.948237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.948237 (E_RNA)
where:
Base-Base interactions energy: -23.350
where: short stacking energy: -17.591
Base-Backbone interact. energy: -1.535
local terms energy: -64.063200
where:
bonds (distance) C4'-P energy: -17.399
bonds (distance) P-C4' energy: -15.407
flat angles C4'-P-C4' energy: -16.484
flat angles P-C4'-P energy: -12.488
tors. eta vs tors. theta energy: -2.284
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: 7
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -321.932009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.932009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.932009 (E_RNA)
where:
Base-Base interactions energy: -231.664
where: short stacking energy: -91.244
Base-Backbone interact. energy: -0.141
local terms energy: -90.126961
where:
bonds (distance) C4'-P energy: -19.470
bonds (distance) P-C4' energy: -16.530
flat angles C4'-P-C4' energy: -24.452
flat angles P-C4'-P energy: -9.432
tors. eta vs tors. theta energy: -20.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -296.539530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.539530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.539530 (E_RNA)
where:
Base-Base interactions energy: -202.882
where: short stacking energy: -80.190
Base-Backbone interact. energy: -0.451
local terms energy: -93.206432
where:
bonds (distance) C4'-P energy: -19.569
bonds (distance) P-C4' energy: -15.167
flat angles C4'-P-C4' energy: -21.692
flat angles P-C4'-P energy: -15.606
tors. eta vs tors. theta energy: -21.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -316.515552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.515552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.515552 (E_RNA)
where:
Base-Base interactions energy: -219.063
where: short stacking energy: -100.007
Base-Backbone interact. energy: -1.442
local terms energy: -96.010316
where:
bonds (distance) C4'-P energy: -16.676
bonds (distance) P-C4' energy: -18.533
flat angles C4'-P-C4' energy: -21.701
flat angles P-C4'-P energy: -10.623
tors. eta vs tors. theta energy: -28.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -269.621754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.621754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.621754 (E_RNA)
where:
Base-Base interactions energy: -190.274
where: short stacking energy: -78.089
Base-Backbone interact. energy: 3.642
local terms energy: -82.989895
where:
bonds (distance) C4'-P energy: -17.829
bonds (distance) P-C4' energy: -19.200
flat angles C4'-P-C4' energy: -19.895
flat angles P-C4'-P energy: -11.688
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: 10
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -274.177304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.177304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.177304 (E_RNA)
where:
Base-Base interactions energy: -189.855
where: short stacking energy: -70.088
Base-Backbone interact. energy: -0.213
local terms energy: -84.109514
where:
bonds (distance) C4'-P energy: -18.117
bonds (distance) P-C4' energy: -20.858
flat angles C4'-P-C4' energy: -20.401
flat angles P-C4'-P energy: -12.805
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: 5
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -295.612774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.612774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.612774 (E_RNA)
where:
Base-Base interactions energy: -207.071
where: short stacking energy: -88.898
Base-Backbone interact. energy: -0.019
local terms energy: -88.522383
where:
bonds (distance) C4'-P energy: -19.163
bonds (distance) P-C4' energy: -15.598
flat angles C4'-P-C4' energy: -21.150
flat angles P-C4'-P energy: -7.513
tors. eta vs tors. theta energy: -25.098
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: 187
Temperature: 1.200000
Total energy: -177.749222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.749222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.749222 (E_RNA)
where:
Base-Base interactions energy: -107.776
where: short stacking energy: -42.809
Base-Backbone interact. energy: -1.138
local terms energy: -68.834862
where:
bonds (distance) C4'-P energy: -15.512
bonds (distance) P-C4' energy: -15.099
flat angles C4'-P-C4' energy: -20.971
flat angles P-C4'-P energy: -11.605
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: 9
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -141.650655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.650655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.650655 (E_RNA)
where:
Base-Base interactions energy: -67.094
where: short stacking energy: -45.995
Base-Backbone interact. energy: -0.360
local terms energy: -74.196127
where:
bonds (distance) C4'-P energy: -17.044
bonds (distance) P-C4' energy: -19.003
flat angles C4'-P-C4' energy: -19.495
flat angles P-C4'-P energy: -10.366
tors. eta vs tors. theta energy: -8.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -116.831170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.831170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.831170 (E_RNA)
where:
Base-Base interactions energy: -47.670
where: short stacking energy: -27.247
Base-Backbone interact. energy: 1.677
local terms energy: -70.838508
where:
bonds (distance) C4'-P energy: -17.604
bonds (distance) P-C4' energy: -19.182
flat angles C4'-P-C4' energy: -16.459
flat angles P-C4'-P energy: -16.446
tors. eta vs tors. theta energy: -1.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -92.048213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.048213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.048213 (E_RNA)
where:
Base-Base interactions energy: -36.729
where: short stacking energy: -31.352
Base-Backbone interact. energy: 2.099
local terms energy: -57.417997
where:
bonds (distance) C4'-P energy: -19.342
bonds (distance) P-C4' energy: -19.681
flat angles C4'-P-C4' energy: -9.784
flat angles P-C4'-P energy: -5.324
tors. eta vs tors. theta energy: -3.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -312.563741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.563741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.563741 (E_RNA)
where:
Base-Base interactions energy: -225.349
where: short stacking energy: -95.322
Base-Backbone interact. energy: -0.224
local terms energy: -86.991249
where:
bonds (distance) C4'-P energy: -21.656
bonds (distance) P-C4' energy: -17.333
flat angles C4'-P-C4' energy: -16.177
flat angles P-C4'-P energy: -10.464
tors. eta vs tors. theta energy: -21.361
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: 7
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -321.620654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.620654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.620654 (E_RNA)
where:
Base-Base interactions energy: -224.600
where: short stacking energy: -91.530
Base-Backbone interact. energy: -0.167
local terms energy: -96.853816
where:
bonds (distance) C4'-P energy: -21.258
bonds (distance) P-C4' energy: -16.222
flat angles C4'-P-C4' energy: -23.281
flat angles P-C4'-P energy: -14.519
tors. eta vs tors. theta energy: -21.574
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: 188
Temperature: 1.000000
Total energy: -316.812370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.812370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.812370 (E_RNA)
where:
Base-Base interactions energy: -207.499
where: short stacking energy: -83.335
Base-Backbone interact. energy: -0.187
local terms energy: -109.125776
where:
bonds (distance) C4'-P energy: -19.136
bonds (distance) P-C4' energy: -22.799
flat angles C4'-P-C4' energy: -24.837
flat angles P-C4'-P energy: -17.117
tors. eta vs tors. theta energy: -25.237
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: 8
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -260.212701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.212701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.212701 (E_RNA)
where:
Base-Base interactions energy: -188.574
where: short stacking energy: -74.391
Base-Backbone interact. energy: -0.326
local terms energy: -71.313070
where:
bonds (distance) C4'-P energy: -15.276
bonds (distance) P-C4' energy: -12.264
flat angles C4'-P-C4' energy: -17.156
flat angles P-C4'-P energy: -10.303
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: 5, replica: 10
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -271.504565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.504565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.504565 (E_RNA)
where:
Base-Base interactions energy: -179.056
where: short stacking energy: -72.734
Base-Backbone interact. energy: -0.093
local terms energy: -92.355270
where:
bonds (distance) C4'-P energy: -16.154
bonds (distance) P-C4' energy: -21.785
flat angles C4'-P-C4' energy: -21.462
flat angles P-C4'-P energy: -12.531
tors. eta vs tors. theta energy: -20.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -256.135757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.135757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.135757 (E_RNA)
where:
Base-Base interactions energy: -174.699
where: short stacking energy: -72.141
Base-Backbone interact. energy: -0.529
local terms energy: -80.907137
where:
bonds (distance) C4'-P energy: -13.123
bonds (distance) P-C4' energy: -22.266
flat angles C4'-P-C4' energy: -15.155
flat angles P-C4'-P energy: -14.818
tors. eta vs tors. theta energy: -15.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -190.828567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.828567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.828567 (E_RNA)
where:
Base-Base interactions energy: -108.027
where: short stacking energy: -58.391
Base-Backbone interact. energy: -1.022
local terms energy: -81.779356
where:
bonds (distance) C4'-P energy: -16.383
bonds (distance) P-C4' energy: -20.362
flat angles C4'-P-C4' energy: -18.084
flat angles P-C4'-P energy: -12.167
tors. eta vs tors. theta energy: -14.784
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: 8, replica: 9
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -118.783597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.783597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.783597 (E_RNA)
where:
Base-Base interactions energy: -56.628
where: short stacking energy: -38.367
Base-Backbone interact. energy: 0.070
local terms energy: -62.225821
where:
bonds (distance) C4'-P energy: -17.503
bonds (distance) P-C4' energy: -14.567
flat angles C4'-P-C4' energy: -13.480
flat angles P-C4'-P energy: -13.926
tors. eta vs tors. theta energy: -2.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -119.624005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.624005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.624005 (E_RNA)
where:
Base-Base interactions energy: -56.352
where: short stacking energy: -39.275
Base-Backbone interact. energy: -0.088
local terms energy: -63.183715
where:
bonds (distance) C4'-P energy: -18.879
bonds (distance) P-C4' energy: -17.842
flat angles C4'-P-C4' energy: -13.153
flat angles P-C4'-P energy: -11.672
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: 10, replica: 4
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -127.367060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.367060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.367060 (E_RNA)
where:
Base-Base interactions energy: -66.184
where: short stacking energy: -40.766
Base-Backbone interact. energy: -0.128
local terms energy: -61.055125
where:
bonds (distance) C4'-P energy: -17.029
bonds (distance) P-C4' energy: -7.748
flat angles C4'-P-C4' energy: -13.418
flat angles P-C4'-P energy: -14.580
tors. eta vs tors. theta energy: -8.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -305.329820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.329820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.329820 (E_RNA)
where:
Base-Base interactions energy: -210.652
where: short stacking energy: -79.261
Base-Backbone interact. energy: -0.128
local terms energy: -94.549578
where:
bonds (distance) C4'-P energy: -19.217
bonds (distance) P-C4' energy: -20.607
flat angles C4'-P-C4' energy: -19.576
flat angles P-C4'-P energy: -8.438
tors. eta vs tors. theta energy: -26.712
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: 189
Temperature: 0.950000
Total energy: -327.682958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.682958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.682958 (E_RNA)
where:
Base-Base interactions energy: -222.950
where: short stacking energy: -96.814
Base-Backbone interact. energy: -0.108
local terms energy: -104.625038
where:
bonds (distance) C4'-P energy: -19.520
bonds (distance) P-C4' energy: -23.540
flat angles C4'-P-C4' energy: -22.111
flat angles P-C4'-P energy: -12.800
tors. eta vs tors. theta energy: -26.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -317.890825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.890825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.890825 (E_RNA)
where:
Base-Base interactions energy: -219.293
where: short stacking energy: -82.454
Base-Backbone interact. energy: -0.193
local terms energy: -98.404899
where:
bonds (distance) C4'-P energy: -20.139
bonds (distance) P-C4' energy: -21.654
flat angles C4'-P-C4' energy: -19.721
flat angles P-C4'-P energy: -14.641
tors. eta vs tors. theta energy: -22.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -280.368400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.368400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.368400 (E_RNA)
where:
Base-Base interactions energy: -197.536
where: short stacking energy: -74.475
Base-Backbone interact. energy: 0.284
local terms energy: -83.116327
where:
bonds (distance) C4'-P energy: -18.133
bonds (distance) P-C4' energy: -19.844
flat angles C4'-P-C4' energy: -15.895
flat angles P-C4'-P energy: -11.437
tors. eta vs tors. theta energy: -17.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -246.454302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.454302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.454302 (E_RNA)
where:
Base-Base interactions energy: -164.770
where: short stacking energy: -67.398
Base-Backbone interact. energy: -0.271
local terms energy: -81.413534
where:
bonds (distance) C4'-P energy: -15.486
bonds (distance) P-C4' energy: -24.318
flat angles C4'-P-C4' energy: -21.984
flat angles P-C4'-P energy: -12.100
tors. eta vs tors. theta energy: -7.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -283.479143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.479143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.479143 (E_RNA)
where:
Base-Base interactions energy: -209.396
where: short stacking energy: -75.946
Base-Backbone interact. energy: 0.565
local terms energy: -74.647418
where:
bonds (distance) C4'-P energy: -19.859
bonds (distance) P-C4' energy: -16.585
flat angles C4'-P-C4' energy: -16.066
flat angles P-C4'-P energy: -2.404
tors. eta vs tors. theta energy: -19.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -172.732632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.732632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.732632 (E_RNA)
where:
Base-Base interactions energy: -93.821
where: short stacking energy: -41.774
Base-Backbone interact. energy: 0.248
local terms energy: -79.159578
where:
bonds (distance) C4'-P energy: -23.328
bonds (distance) P-C4' energy: -24.045
flat angles C4'-P-C4' energy: -19.041
flat angles P-C4'-P energy: -3.876
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: 8, replica: 1
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -114.531966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.531966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.531966 (E_RNA)
where:
Base-Base interactions energy: -47.522
where: short stacking energy: -45.348
Base-Backbone interact. energy: -0.172
local terms energy: -66.838281
where:
bonds (distance) C4'-P energy: -8.577
bonds (distance) P-C4' energy: -19.914
flat angles C4'-P-C4' energy: -19.463
flat angles P-C4'-P energy: -9.504
tors. eta vs tors. theta energy: -9.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -107.967445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.967445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.967445 (E_RNA)
where:
Base-Base interactions energy: -44.449
where: short stacking energy: -35.732
Base-Backbone interact. energy: -1.260
local terms energy: -62.258909
where:
bonds (distance) C4'-P energy: -16.767
bonds (distance) P-C4' energy: -21.433
flat angles C4'-P-C4' energy: -8.460
flat angles P-C4'-P energy: -11.160
tors. eta vs tors. theta energy: -4.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -101.419281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.419281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.419281 (E_RNA)
where:
Base-Base interactions energy: -41.338
where: short stacking energy: -33.749
Base-Backbone interact. energy: 3.131
local terms energy: -63.212099
where:
bonds (distance) C4'-P energy: -15.252
bonds (distance) P-C4' energy: -18.651
flat angles C4'-P-C4' energy: -18.035
flat angles P-C4'-P energy: -11.191
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: 2
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -327.452141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.452141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.452141 (E_RNA)
where:
Base-Base interactions energy: -222.925
where: short stacking energy: -96.657
Base-Backbone interact. energy: -0.204
local terms energy: -104.323872
where:
bonds (distance) C4'-P energy: -21.189
bonds (distance) P-C4' energy: -20.396
flat angles C4'-P-C4' energy: -24.392
flat angles P-C4'-P energy: -13.600
tors. eta vs tors. theta energy: -24.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -297.102283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.102283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.102283 (E_RNA)
where:
Base-Base interactions energy: -206.007
where: short stacking energy: -91.291
Base-Backbone interact. energy: -0.431
local terms energy: -90.664163
where:
bonds (distance) C4'-P energy: -18.181
bonds (distance) P-C4' energy: -19.549
flat angles C4'-P-C4' energy: -17.726
flat angles P-C4'-P energy: -13.053
tors. eta vs tors. theta energy: -22.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -313.788658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.788658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.788658 (E_RNA)
where:
Base-Base interactions energy: -219.715
where: short stacking energy: -84.018
Base-Backbone interact. energy: -0.449
local terms energy: -93.624302
where:
bonds (distance) C4'-P energy: -16.265
bonds (distance) P-C4' energy: -18.851
flat angles C4'-P-C4' energy: -22.783
flat angles P-C4'-P energy: -14.340
tors. eta vs tors. theta energy: -21.385
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: 10
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -285.035230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.035230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.035230 (E_RNA)
where:
Base-Base interactions energy: -205.597
where: short stacking energy: -85.506
Base-Backbone interact. energy: -0.078
local terms energy: -79.359912
where:
bonds (distance) C4'-P energy: -22.372
bonds (distance) P-C4' energy: -15.056
flat angles C4'-P-C4' energy: -14.495
flat angles P-C4'-P energy: -7.001
tors. eta vs tors. theta energy: -20.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -276.164200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.164200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.164200 (E_RNA)
where:
Base-Base interactions energy: -197.320
where: short stacking energy: -70.824
Base-Backbone interact. energy: -1.088
local terms energy: -77.755784
where:
bonds (distance) C4'-P energy: -13.070
bonds (distance) P-C4' energy: -21.558
flat angles C4'-P-C4' energy: -16.657
flat angles P-C4'-P energy: -10.723
tors. eta vs tors. theta energy: -15.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -249.849279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.849279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.849279 (E_RNA)
where:
Base-Base interactions energy: -167.779
where: short stacking energy: -71.859
Base-Backbone interact. energy: 0.439
local terms energy: -82.508957
where:
bonds (distance) C4'-P energy: -21.175
bonds (distance) P-C4' energy: -14.792
flat angles C4'-P-C4' energy: -23.269
flat angles P-C4'-P energy: -14.733
tors. eta vs tors. theta energy: -8.540
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: 6
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -187.939393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.939393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.939393 (E_RNA)
where:
Base-Base interactions energy: -107.828
where: short stacking energy: -71.183
Base-Backbone interact. energy: -0.025
local terms energy: -80.086286
where:
bonds (distance) C4'-P energy: -20.079
bonds (distance) P-C4' energy: -19.197
flat angles C4'-P-C4' energy: -14.770
flat angles P-C4'-P energy: -10.939
tors. eta vs tors. theta energy: -15.101
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: 1
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -103.015936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.015936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.015936 (E_RNA)
where:
Base-Base interactions energy: -44.861
where: short stacking energy: -18.997
Base-Backbone interact. energy: -0.436
local terms energy: -57.719072
where:
bonds (distance) C4'-P energy: -12.574
bonds (distance) P-C4' energy: -19.940
flat angles C4'-P-C4' energy: -12.587
flat angles P-C4'-P energy: -14.756
tors. eta vs tors. theta energy: 2.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -138.224025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.224025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.224025 (E_RNA)
where:
Base-Base interactions energy: -72.652
where: short stacking energy: -45.281
Base-Backbone interact. energy: -0.318
local terms energy: -65.254024
where:
bonds (distance) C4'-P energy: -16.339
bonds (distance) P-C4' energy: -16.574
flat angles C4'-P-C4' energy: -20.890
flat angles P-C4'-P energy: -8.933
tors. eta vs tors. theta energy: -2.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -99.834455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.834455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.834455 (E_RNA)
where:
Base-Base interactions energy: -33.000
where: short stacking energy: -33.000
Base-Backbone interact. energy: -0.252
local terms energy: -66.582150
where:
bonds (distance) C4'-P energy: -15.135
bonds (distance) P-C4' energy: -14.211
flat angles C4'-P-C4' energy: -18.964
flat angles P-C4'-P energy: -14.055
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: 1, replica: 2
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -330.181107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.181107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.181107 (E_RNA)
where:
Base-Base interactions energy: -220.376
where: short stacking energy: -93.656
Base-Backbone interact. energy: -0.113
local terms energy: -109.692297
where:
bonds (distance) C4'-P energy: -18.708
bonds (distance) P-C4' energy: -24.045
flat angles C4'-P-C4' energy: -22.274
flat angles P-C4'-P energy: -17.370
tors. eta vs tors. theta energy: -27.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -322.312233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.312233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.312233 (E_RNA)
where:
Base-Base interactions energy: -221.188
where: short stacking energy: -87.654
Base-Backbone interact. energy: -1.253
local terms energy: -99.870828
where:
bonds (distance) C4'-P energy: -21.823
bonds (distance) P-C4' energy: -20.876
flat angles C4'-P-C4' energy: -21.341
flat angles P-C4'-P energy: -12.570
tors. eta vs tors. theta energy: -23.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -300.053608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.053608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.053608 (E_RNA)
where:
Base-Base interactions energy: -213.082
where: short stacking energy: -83.980
Base-Backbone interact. energy: 0.003
local terms energy: -86.974892
where:
bonds (distance) C4'-P energy: -19.198
bonds (distance) P-C4' energy: -18.814
flat angles C4'-P-C4' energy: -20.603
flat angles P-C4'-P energy: -8.082
tors. eta vs tors. theta energy: -20.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -302.630364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.630364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.630364 (E_RNA)
where:
Base-Base interactions energy: -213.293
where: short stacking energy: -84.357
Base-Backbone interact. energy: -0.471
local terms energy: -88.866393
where:
bonds (distance) C4'-P energy: -17.720
bonds (distance) P-C4' energy: -16.322
flat angles C4'-P-C4' energy: -19.168
flat angles P-C4'-P energy: -9.274
tors. eta vs tors. theta energy: -26.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -275.899511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.899511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.899511 (E_RNA)
where:
Base-Base interactions energy: -194.930
where: short stacking energy: -80.392
Base-Backbone interact. energy: -0.867
local terms energy: -80.102095
where:
bonds (distance) C4'-P energy: -15.112
bonds (distance) P-C4' energy: -19.667
flat angles C4'-P-C4' energy: -15.901
flat angles P-C4'-P energy: -13.065
tors. eta vs tors. theta energy: -16.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -249.263509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.263509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.263509 (E_RNA)
where:
Base-Base interactions energy: -175.180
where: short stacking energy: -69.100
Base-Backbone interact. energy: -0.751
local terms energy: -73.333089
where:
bonds (distance) C4'-P energy: -14.428
bonds (distance) P-C4' energy: -19.008
flat angles C4'-P-C4' energy: -22.900
flat angles P-C4'-P energy: -8.215
tors. eta vs tors. theta energy: -8.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -190.944691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.944691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.944691 (E_RNA)
where:
Base-Base interactions energy: -123.560
where: short stacking energy: -71.879
Base-Backbone interact. energy: -0.184
local terms energy: -67.200837
where:
bonds (distance) C4'-P energy: -14.536
bonds (distance) P-C4' energy: -8.626
flat angles C4'-P-C4' energy: -18.177
flat angles P-C4'-P energy: -11.888
tors. eta vs tors. theta energy: -13.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -121.980682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.980682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.980682 (E_RNA)
where:
Base-Base interactions energy: -55.707
where: short stacking energy: -39.898
Base-Backbone interact. energy: -0.412
local terms energy: -65.861879
where:
bonds (distance) C4'-P energy: -14.792
bonds (distance) P-C4' energy: -20.774
flat angles C4'-P-C4' energy: -11.633
flat angles P-C4'-P energy: -10.596
tors. eta vs tors. theta energy: -8.068
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: 191
Temperature: 1.300000
Total energy: -117.473047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.473047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.473047 (E_RNA)
where:
Base-Base interactions energy: -49.039
where: short stacking energy: -39.102
Base-Backbone interact. energy: -0.247
local terms energy: -68.186701
where:
bonds (distance) C4'-P energy: -19.105
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -16.516
flat angles P-C4'-P energy: -9.910
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: 10, replica: 4
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -101.762526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.762526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.762526 (E_RNA)
where:
Base-Base interactions energy: -42.454
where: short stacking energy: -34.667
Base-Backbone interact. energy: -0.174
local terms energy: -59.135198
where:
bonds (distance) C4'-P energy: -17.665
bonds (distance) P-C4' energy: -18.647
flat angles C4'-P-C4' energy: -13.866
flat angles P-C4'-P energy: -7.492
tors. eta vs tors. theta energy: -1.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -330.090113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.090113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.090113 (E_RNA)
where:
Base-Base interactions energy: -221.612
where: short stacking energy: -98.938
Base-Backbone interact. energy: -0.165
local terms energy: -108.312822
where:
bonds (distance) C4'-P energy: -16.534
bonds (distance) P-C4' energy: -23.046
flat angles C4'-P-C4' energy: -23.298
flat angles P-C4'-P energy: -16.953
tors. eta vs tors. theta energy: -28.482
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: 7
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -321.623157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.623157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.623157 (E_RNA)
where:
Base-Base interactions energy: -223.280
where: short stacking energy: -89.229
Base-Backbone interact. energy: -0.359
local terms energy: -97.984096
where:
bonds (distance) C4'-P energy: -17.482
bonds (distance) P-C4' energy: -21.211
flat angles C4'-P-C4' energy: -22.433
flat angles P-C4'-P energy: -16.560
tors. eta vs tors. theta energy: -20.298
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: 3, replica: 5
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -294.041295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.041295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.041295 (E_RNA)
where:
Base-Base interactions energy: -192.892
where: short stacking energy: -74.440
Base-Backbone interact. energy: -0.729
local terms energy: -100.419991
where:
bonds (distance) C4'-P energy: -22.649
bonds (distance) P-C4' energy: -20.454
flat angles C4'-P-C4' energy: -17.976
flat angles P-C4'-P energy: -15.433
tors. eta vs tors. theta energy: -23.908
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: 3
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -287.054595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.054595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.054595 (E_RNA)
where:
Base-Base interactions energy: -199.101
where: short stacking energy: -82.216
Base-Backbone interact. energy: 0.699
local terms energy: -88.652632
where:
bonds (distance) C4'-P energy: -19.063
bonds (distance) P-C4' energy: -19.584
flat angles C4'-P-C4' energy: -18.411
flat angles P-C4'-P energy: -8.920
tors. eta vs tors. theta energy: -22.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -283.831822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.831822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.831822 (E_RNA)
where:
Base-Base interactions energy: -196.450
where: short stacking energy: -76.432
Base-Backbone interact. energy: -0.328
local terms energy: -87.054064
where:
bonds (distance) C4'-P energy: -17.703
bonds (distance) P-C4' energy: -18.214
flat angles C4'-P-C4' energy: -20.942
flat angles P-C4'-P energy: -12.486
tors. eta vs tors. theta energy: -17.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -250.472453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.472453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.472453 (E_RNA)
where:
Base-Base interactions energy: -166.109
where: short stacking energy: -67.697
Base-Backbone interact. energy: -0.462
local terms energy: -83.901641
where:
bonds (distance) C4'-P energy: -19.991
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -18.762
flat angles P-C4'-P energy: -17.776
tors. eta vs tors. theta energy: -12.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -183.481141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.481141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.481141 (E_RNA)
where:
Base-Base interactions energy: -107.203
where: short stacking energy: -63.274
Base-Backbone interact. energy: -0.385
local terms energy: -75.893195
where:
bonds (distance) C4'-P energy: -17.532
bonds (distance) P-C4' energy: -17.923
flat angles C4'-P-C4' energy: -19.371
flat angles P-C4'-P energy: -13.693
tors. eta vs tors. theta energy: -7.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -109.744690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.744690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.744690 (E_RNA)
where:
Base-Base interactions energy: -48.132
where: short stacking energy: -23.759
Base-Backbone interact. energy: -1.082
local terms energy: -60.530657
where:
bonds (distance) C4'-P energy: -19.716
bonds (distance) P-C4' energy: -21.515
flat angles C4'-P-C4' energy: -14.416
flat angles P-C4'-P energy: -10.162
tors. eta vs tors. theta energy: 5.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -100.917776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.917776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.917776 (E_RNA)
where:
Base-Base interactions energy: -36.978
where: short stacking energy: -21.957
Base-Backbone interact. energy: -0.167
local terms energy: -63.772723
where:
bonds (distance) C4'-P energy: -13.780
bonds (distance) P-C4' energy: -18.547
flat angles C4'-P-C4' energy: -18.438
flat angles P-C4'-P energy: -14.493
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: 10, replica: 4
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -135.357424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.357424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.357424 (E_RNA)
where:
Base-Base interactions energy: -79.020
where: short stacking energy: -40.377
Base-Backbone interact. energy: -0.298
local terms energy: -56.039857
where:
bonds (distance) C4'-P energy: -14.389
bonds (distance) P-C4' energy: -13.713
flat angles C4'-P-C4' energy: -20.696
flat angles P-C4'-P energy: -6.482
tors. eta vs tors. theta energy: -0.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -332.521061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.521061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.521061 (E_RNA)
where:
Base-Base interactions energy: -230.217
where: short stacking energy: -106.326
Base-Backbone interact. energy: -1.848
local terms energy: -100.456433
where:
bonds (distance) C4'-P energy: -17.810
bonds (distance) P-C4' energy: -19.079
flat angles C4'-P-C4' energy: -22.984
flat angles P-C4'-P energy: -12.968
tors. eta vs tors. theta energy: -27.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -326.996376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.996376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.996376 (E_RNA)
where:
Base-Base interactions energy: -235.024
where: short stacking energy: -89.392
Base-Backbone interact. energy: -0.113
local terms energy: -91.859094
where:
bonds (distance) C4'-P energy: -18.543
bonds (distance) P-C4' energy: -20.568
flat angles C4'-P-C4' energy: -21.628
flat angles P-C4'-P energy: -11.147
tors. eta vs tors. theta energy: -19.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -286.612464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.612464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.612464 (E_RNA)
where:
Base-Base interactions energy: -205.411
where: short stacking energy: -74.827
Base-Backbone interact. energy: -0.302
local terms energy: -80.899149
where:
bonds (distance) C4'-P energy: -18.726
bonds (distance) P-C4' energy: -19.326
flat angles C4'-P-C4' energy: -16.220
flat angles P-C4'-P energy: -9.068
tors. eta vs tors. theta energy: -17.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -287.134745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.134745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.134745 (E_RNA)
where:
Base-Base interactions energy: -202.113
where: short stacking energy: -78.261
Base-Backbone interact. energy: -0.188
local terms energy: -84.834269
where:
bonds (distance) C4'-P energy: -23.159
bonds (distance) P-C4' energy: -16.407
flat angles C4'-P-C4' energy: -20.574
flat angles P-C4'-P energy: -6.649
tors. eta vs tors. theta energy: -18.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -279.908284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.908284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.908284 (E_RNA)
where:
Base-Base interactions energy: -198.534
where: short stacking energy: -80.293
Base-Backbone interact. energy: -1.175
local terms energy: -80.199125
where:
bonds (distance) C4'-P energy: -13.944
bonds (distance) P-C4' energy: -16.263
flat angles C4'-P-C4' energy: -20.449
flat angles P-C4'-P energy: -7.768
tors. eta vs tors. theta energy: -21.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -261.434359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.434359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.434359 (E_RNA)
where:
Base-Base interactions energy: -179.218
where: short stacking energy: -69.877
Base-Backbone interact. energy: -0.937
local terms energy: -81.279055
where:
bonds (distance) C4'-P energy: -15.504
bonds (distance) P-C4' energy: -19.847
flat angles C4'-P-C4' energy: -18.686
flat angles P-C4'-P energy: -9.757
tors. eta vs tors. theta energy: -17.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -185.823962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.823962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.823962 (E_RNA)
where:
Base-Base interactions energy: -101.914
where: short stacking energy: -57.325
Base-Backbone interact. energy: -0.221
local terms energy: -83.689098
where:
bonds (distance) C4'-P energy: -18.460
bonds (distance) P-C4' energy: -18.174
flat angles C4'-P-C4' energy: -21.034
flat angles P-C4'-P energy: -11.435
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: 8, replica: 9
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -136.973218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.973218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.973218 (E_RNA)
where:
Base-Base interactions energy: -66.916
where: short stacking energy: -54.324
Base-Backbone interact. energy: -0.081
local terms energy: -69.975825
where:
bonds (distance) C4'-P energy: -12.192
bonds (distance) P-C4' energy: -21.187
flat angles C4'-P-C4' energy: -18.221
flat angles P-C4'-P energy: -5.889
tors. eta vs tors. theta energy: -12.487
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: 1
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -100.683225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.683225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.683225 (E_RNA)
where:
Base-Base interactions energy: -38.947
where: short stacking energy: -36.420
Base-Backbone interact. energy: -0.419
local terms energy: -61.316330
where:
bonds (distance) C4'-P energy: -14.180
bonds (distance) P-C4' energy: -20.036
flat angles C4'-P-C4' energy: -14.464
flat angles P-C4'-P energy: -12.305
tors. eta vs tors. theta energy: -0.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -109.142789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.142789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.142789 (E_RNA)
where:
Base-Base interactions energy: -41.745
where: short stacking energy: -35.948
Base-Backbone interact. energy: -0.749
local terms energy: -66.648910
where:
bonds (distance) C4'-P energy: -17.239
bonds (distance) P-C4' energy: -19.232
flat angles C4'-P-C4' energy: -17.480
flat angles P-C4'-P energy: -9.957
tors. eta vs tors. theta energy: -2.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -334.517905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.517905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.517905 (E_RNA)
where:
Base-Base interactions energy: -230.647
where: short stacking energy: -95.015
Base-Backbone interact. energy: -0.000
local terms energy: -103.870883
where:
bonds (distance) C4'-P energy: -19.182
bonds (distance) P-C4' energy: -21.396
flat angles C4'-P-C4' energy: -21.214
flat angles P-C4'-P energy: -17.422
tors. eta vs tors. theta energy: -24.658
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: 7
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -317.457129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.457129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.457129 (E_RNA)
where:
Base-Base interactions energy: -217.461
where: short stacking energy: -92.853
Base-Backbone interact. energy: -1.397
local terms energy: -98.599084
where:
bonds (distance) C4'-P energy: -19.838
bonds (distance) P-C4' energy: -21.071
flat angles C4'-P-C4' energy: -16.067
flat angles P-C4'-P energy: -16.142
tors. eta vs tors. theta energy: -25.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -296.572877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.572877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.572877 (E_RNA)
where:
Base-Base interactions energy: -204.271
where: short stacking energy: -89.386
Base-Backbone interact. energy: -1.164
local terms energy: -91.137688
where:
bonds (distance) C4'-P energy: -20.794
bonds (distance) P-C4' energy: -20.877
flat angles C4'-P-C4' energy: -22.290
flat angles P-C4'-P energy: -6.894
tors. eta vs tors. theta energy: -20.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -282.971316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.971316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.971316 (E_RNA)
where:
Base-Base interactions energy: -187.894
where: short stacking energy: -75.955
Base-Backbone interact. energy: -1.249
local terms energy: -93.828831
where:
bonds (distance) C4'-P energy: -18.790
bonds (distance) P-C4' energy: -22.443
flat angles C4'-P-C4' energy: -19.482
flat angles P-C4'-P energy: -12.586
tors. eta vs tors. theta energy: -20.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -278.187769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.187769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.187769 (E_RNA)
where:
Base-Base interactions energy: -192.992
where: short stacking energy: -73.154
Base-Backbone interact. energy: -0.078
local terms energy: -85.117490
where:
bonds (distance) C4'-P energy: -16.263
bonds (distance) P-C4' energy: -23.135
flat angles C4'-P-C4' energy: -17.903
flat angles P-C4'-P energy: -7.796
tors. eta vs tors. theta energy: -20.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -241.524452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.524452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.524452 (E_RNA)
where:
Base-Base interactions energy: -167.749
where: short stacking energy: -68.739
Base-Backbone interact. energy: 0.504
local terms energy: -74.278957
where:
bonds (distance) C4'-P energy: -12.338
bonds (distance) P-C4' energy: -18.832
flat angles C4'-P-C4' energy: -19.511
flat angles P-C4'-P energy: -9.668
tors. eta vs tors. theta energy: -13.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -184.983020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.983020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.983020 (E_RNA)
where:
Base-Base interactions energy: -117.966
where: short stacking energy: -60.246
Base-Backbone interact. energy: 1.302
local terms energy: -68.318352
where:
bonds (distance) C4'-P energy: -14.109
bonds (distance) P-C4' energy: -18.946
flat angles C4'-P-C4' energy: -14.064
flat angles P-C4'-P energy: -9.974
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: 8, replica: 9
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -121.395930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.395930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.395930 (E_RNA)
where:
Base-Base interactions energy: -53.801
where: short stacking energy: -42.386
Base-Backbone interact. energy: -0.176
local terms energy: -67.419874
where:
bonds (distance) C4'-P energy: -15.429
bonds (distance) P-C4' energy: -20.501
flat angles C4'-P-C4' energy: -18.567
flat angles P-C4'-P energy: -9.481
tors. eta vs tors. theta energy: -3.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -116.305487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.305487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.305487 (E_RNA)
where:
Base-Base interactions energy: -57.632
where: short stacking energy: -48.330
Base-Backbone interact. energy: -0.249
local terms energy: -58.425319
where:
bonds (distance) C4'-P energy: -21.863
bonds (distance) P-C4' energy: -17.601
flat angles C4'-P-C4' energy: -15.414
flat angles P-C4'-P energy: -3.281
tors. eta vs tors. theta energy: -0.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -106.141914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.141914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.141914 (E_RNA)
where:
Base-Base interactions energy: -40.213
where: short stacking energy: -40.213
Base-Backbone interact. energy: 2.122
local terms energy: -68.050741
where:
bonds (distance) C4'-P energy: -20.941
bonds (distance) P-C4' energy: -20.125
flat angles C4'-P-C4' energy: -15.327
flat angles P-C4'-P energy: -8.914
tors. eta vs tors. theta energy: -2.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -324.055875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.055875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.055875 (E_RNA)
where:
Base-Base interactions energy: -228.696
where: short stacking energy: -93.343
Base-Backbone interact. energy: -0.096
local terms energy: -95.263572
where:
bonds (distance) C4'-P energy: -21.524
bonds (distance) P-C4' energy: -18.872
flat angles C4'-P-C4' energy: -19.145
flat angles P-C4'-P energy: -10.689
tors. eta vs tors. theta energy: -25.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -286.427133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.427133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.427133 (E_RNA)
where:
Base-Base interactions energy: -190.761
where: short stacking energy: -87.442
Base-Backbone interact. energy: -1.048
local terms energy: -94.617968
where:
bonds (distance) C4'-P energy: -15.850
bonds (distance) P-C4' energy: -18.823
flat angles C4'-P-C4' energy: -19.809
flat angles P-C4'-P energy: -15.081
tors. eta vs tors. theta energy: -25.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -315.340316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.340316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.340316 (E_RNA)
where:
Base-Base interactions energy: -218.559
where: short stacking energy: -86.326
Base-Backbone interact. energy: 1.284
local terms energy: -98.065707
where:
bonds (distance) C4'-P energy: -18.514
bonds (distance) P-C4' energy: -19.490
flat angles C4'-P-C4' energy: -23.450
flat angles P-C4'-P energy: -14.158
tors. eta vs tors. theta energy: -22.454
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: 4, replica: 5
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -283.134886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.134886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.134886 (E_RNA)
where:
Base-Base interactions energy: -194.115
where: short stacking energy: -77.138
Base-Backbone interact. energy: -0.118
local terms energy: -88.901956
where:
bonds (distance) C4'-P energy: -20.836
bonds (distance) P-C4' energy: -19.766
flat angles C4'-P-C4' energy: -14.465
flat angles P-C4'-P energy: -17.115
tors. eta vs tors. theta energy: -16.720
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: 5, replica: 3
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -258.313503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.313503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.313503 (E_RNA)
where:
Base-Base interactions energy: -167.802
where: short stacking energy: -72.603
Base-Backbone interact. energy: -0.032
local terms energy: -90.479205
where:
bonds (distance) C4'-P energy: -19.570
bonds (distance) P-C4' energy: -20.321
flat angles C4'-P-C4' energy: -20.957
flat angles P-C4'-P energy: -13.419
tors. eta vs tors. theta energy: -16.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -261.312045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.312045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.312045 (E_RNA)
where:
Base-Base interactions energy: -180.193
where: short stacking energy: -64.147
Base-Backbone interact. energy: -1.301
local terms energy: -79.817937
where:
bonds (distance) C4'-P energy: -18.743
bonds (distance) P-C4' energy: -16.569
flat angles C4'-P-C4' energy: -21.496
flat angles P-C4'-P energy: -9.796
tors. eta vs tors. theta energy: -13.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -195.142981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.142981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.142981 (E_RNA)
where:
Base-Base interactions energy: -118.125
where: short stacking energy: -64.185
Base-Backbone interact. energy: -0.795
local terms energy: -76.222377
where:
bonds (distance) C4'-P energy: -20.763
bonds (distance) P-C4' energy: -15.860
flat angles C4'-P-C4' energy: -16.239
flat angles P-C4'-P energy: -9.699
tors. eta vs tors. theta energy: -13.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -104.662089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.662089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.662089 (E_RNA)
where:
Base-Base interactions energy: -35.641
where: short stacking energy: -26.279
Base-Backbone interact. energy: 0.142
local terms energy: -69.162947
where:
bonds (distance) C4'-P energy: -18.568
bonds (distance) P-C4' energy: -19.365
flat angles C4'-P-C4' energy: -19.695
flat angles P-C4'-P energy: -9.724
tors. eta vs tors. theta energy: -1.811
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: 4
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -117.498252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.498252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.498252 (E_RNA)
where:
Base-Base interactions energy: -46.805
where: short stacking energy: -45.646
Base-Backbone interact. energy: -0.663
local terms energy: -70.030044
where:
bonds (distance) C4'-P energy: -14.685
bonds (distance) P-C4' energy: -21.067
flat angles C4'-P-C4' energy: -16.622
flat angles P-C4'-P energy: -15.086
tors. eta vs tors. theta energy: -2.570
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: 1
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -92.922906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.922906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.922906 (E_RNA)
where:
Base-Base interactions energy: -36.378
where: short stacking energy: -35.537
Base-Backbone interact. energy: 1.060
local terms energy: -57.604599
where:
bonds (distance) C4'-P energy: -13.012
bonds (distance) P-C4' energy: -14.695
flat angles C4'-P-C4' energy: -17.356
flat angles P-C4'-P energy: -11.104
tors. eta vs tors. theta energy: -1.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -331.403001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.403001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.403001 (E_RNA)
where:
Base-Base interactions energy: -228.217
where: short stacking energy: -88.801
Base-Backbone interact. energy: -0.154
local terms energy: -103.031462
where:
bonds (distance) C4'-P energy: -23.967
bonds (distance) P-C4' energy: -23.888
flat angles C4'-P-C4' energy: -21.359
flat angles P-C4'-P energy: -10.609
tors. eta vs tors. theta energy: -23.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -301.146945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.146945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.146945 (E_RNA)
where:
Base-Base interactions energy: -206.570
where: short stacking energy: -82.981
Base-Backbone interact. energy: -0.094
local terms energy: -94.482919
where:
bonds (distance) C4'-P energy: -21.719
bonds (distance) P-C4' energy: -21.344
flat angles C4'-P-C4' energy: -22.027
flat angles P-C4'-P energy: -9.849
tors. eta vs tors. theta energy: -19.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -298.421885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.421885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.421885 (E_RNA)
where:
Base-Base interactions energy: -206.046
where: short stacking energy: -83.330
Base-Backbone interact. energy: -0.362
local terms energy: -92.013859
where:
bonds (distance) C4'-P energy: -21.688
bonds (distance) P-C4' energy: -18.899
flat angles C4'-P-C4' energy: -19.510
flat angles P-C4'-P energy: -9.368
tors. eta vs tors. theta energy: -22.549
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: 7
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -307.918416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.918416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.918416 (E_RNA)
where:
Base-Base interactions energy: -199.795
where: short stacking energy: -80.958
Base-Backbone interact. energy: -0.167
local terms energy: -107.956050
where:
bonds (distance) C4'-P energy: -21.798
bonds (distance) P-C4' energy: -24.589
flat angles C4'-P-C4' energy: -22.662
flat angles P-C4'-P energy: -17.262
tors. eta vs tors. theta energy: -21.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -271.786705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.786705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.786705 (E_RNA)
where:
Base-Base interactions energy: -189.872
where: short stacking energy: -74.084
Base-Backbone interact. energy: -2.578
local terms energy: -79.336840
where:
bonds (distance) C4'-P energy: -18.430
bonds (distance) P-C4' energy: -16.440
flat angles C4'-P-C4' energy: -14.766
flat angles P-C4'-P energy: -10.208
tors. eta vs tors. theta energy: -19.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -261.686458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.686458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.686458 (E_RNA)
where:
Base-Base interactions energy: -177.433
where: short stacking energy: -77.072
Base-Backbone interact. energy: -0.391
local terms energy: -83.862759
where:
bonds (distance) C4'-P energy: -18.745
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -20.023
flat angles P-C4'-P energy: -9.092
tors. eta vs tors. theta energy: -19.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -176.026225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.026225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.026225 (E_RNA)
where:
Base-Base interactions energy: -108.073
where: short stacking energy: -53.465
Base-Backbone interact. energy: -0.419
local terms energy: -67.534110
where:
bonds (distance) C4'-P energy: -21.205
bonds (distance) P-C4' energy: -13.052
flat angles C4'-P-C4' energy: -17.539
flat angles P-C4'-P energy: -11.814
tors. eta vs tors. theta energy: -3.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -118.757786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.757786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.757786 (E_RNA)
where:
Base-Base interactions energy: -44.543
where: short stacking energy: -43.717
Base-Backbone interact. energy: -0.179
local terms energy: -74.035916
where:
bonds (distance) C4'-P energy: -20.341
bonds (distance) P-C4' energy: -20.831
flat angles C4'-P-C4' energy: -16.877
flat angles P-C4'-P energy: -6.015
tors. eta vs tors. theta energy: -9.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -124.654766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.654766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.654766 (E_RNA)
where:
Base-Base interactions energy: -62.488
where: short stacking energy: -40.572
Base-Backbone interact. energy: -0.272
local terms energy: -61.895213
where:
bonds (distance) C4'-P energy: -14.131
bonds (distance) P-C4' energy: -13.211
flat angles C4'-P-C4' energy: -21.797
flat angles P-C4'-P energy: -10.398
tors. eta vs tors. theta energy: -2.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -92.497974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.497974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.497974 (E_RNA)
where:
Base-Base interactions energy: -38.314
where: short stacking energy: -27.857
Base-Backbone interact. energy: -0.522
local terms energy: -53.662177
where:
bonds (distance) C4'-P energy: -17.163
bonds (distance) P-C4' energy: -19.598
flat angles C4'-P-C4' energy: -12.506
flat angles P-C4'-P energy: -7.245
tors. eta vs tors. theta energy: 2.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -331.926357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.926357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.926357 (E_RNA)
where:
Base-Base interactions energy: -222.057
where: short stacking energy: -97.567
Base-Backbone interact. energy: -0.087
local terms energy: -109.783230
where:
bonds (distance) C4'-P energy: -22.273
bonds (distance) P-C4' energy: -22.177
flat angles C4'-P-C4' energy: -24.021
flat angles P-C4'-P energy: -12.584
tors. eta vs tors. theta energy: -28.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -299.764539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.764539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.764539 (E_RNA)
where:
Base-Base interactions energy: -207.443
where: short stacking energy: -83.897
Base-Backbone interact. energy: -0.310
local terms energy: -92.012090
where:
bonds (distance) C4'-P energy: -19.765
bonds (distance) P-C4' energy: -19.099
flat angles C4'-P-C4' energy: -17.841
flat angles P-C4'-P energy: -8.767
tors. eta vs tors. theta energy: -26.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -302.453453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.453453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.453453 (E_RNA)
where:
Base-Base interactions energy: -213.284
where: short stacking energy: -86.900
Base-Backbone interact. energy: -0.291
local terms energy: -88.878434
where:
bonds (distance) C4'-P energy: -16.848
bonds (distance) P-C4' energy: -20.358
flat angles C4'-P-C4' energy: -20.529
flat angles P-C4'-P energy: -9.167
tors. eta vs tors. theta energy: -21.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -302.683420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.683420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.683420 (E_RNA)
where:
Base-Base interactions energy: -203.989
where: short stacking energy: -82.221
Base-Backbone interact. energy: 1.301
local terms energy: -99.995114
where:
bonds (distance) C4'-P energy: -21.731
bonds (distance) P-C4' energy: -22.564
flat angles C4'-P-C4' energy: -20.333
flat angles P-C4'-P energy: -10.612
tors. eta vs tors. theta energy: -24.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -268.602738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.602738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.602738 (E_RNA)
where:
Base-Base interactions energy: -189.485
where: short stacking energy: -79.200
Base-Backbone interact. energy: -0.652
local terms energy: -78.466519
where:
bonds (distance) C4'-P energy: -15.837
bonds (distance) P-C4' energy: -16.554
flat angles C4'-P-C4' energy: -14.410
flat angles P-C4'-P energy: -13.139
tors. eta vs tors. theta energy: -18.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -198.427600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.427600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.427600 (E_RNA)
where:
Base-Base interactions energy: -120.798
where: short stacking energy: -61.811
Base-Backbone interact. energy: -0.733
local terms energy: -76.896556
where:
bonds (distance) C4'-P energy: -18.642
bonds (distance) P-C4' energy: -21.939
flat angles C4'-P-C4' energy: -15.812
flat angles P-C4'-P energy: -11.736
tors. eta vs tors. theta energy: -8.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -244.206108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.206108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.206108 (E_RNA)
where:
Base-Base interactions energy: -157.940
where: short stacking energy: -80.146
Base-Backbone interact. energy: -0.048
local terms energy: -86.217946
where:
bonds (distance) C4'-P energy: -16.962
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -19.393
flat angles P-C4'-P energy: -9.383
tors. eta vs tors. theta energy: -23.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -115.755895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.755895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.755895 (E_RNA)
where:
Base-Base interactions energy: -50.907
where: short stacking energy: -25.117
Base-Backbone interact. energy: -0.567
local terms energy: -64.282065
where:
bonds (distance) C4'-P energy: -21.577
bonds (distance) P-C4' energy: -20.474
flat angles C4'-P-C4' energy: -18.223
flat angles P-C4'-P energy: -6.066
tors. eta vs tors. theta energy: 2.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -112.888937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.888937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.888937 (E_RNA)
where:
Base-Base interactions energy: -47.725
where: short stacking energy: -42.025
Base-Backbone interact. energy: 0.026
local terms energy: -65.190658
where:
bonds (distance) C4'-P energy: -13.501
bonds (distance) P-C4' energy: -12.518
flat angles C4'-P-C4' energy: -22.737
flat angles P-C4'-P energy: -15.132
tors. eta vs tors. theta energy: -1.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -120.332749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.332749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.332749 (E_RNA)
where:
Base-Base interactions energy: -59.191
where: short stacking energy: -45.483
Base-Backbone interact. energy: -0.220
local terms energy: -60.921714
where:
bonds (distance) C4'-P energy: -12.738
bonds (distance) P-C4' energy: -18.457
flat angles C4'-P-C4' energy: -17.786
flat angles P-C4'-P energy: -9.917
tors. eta vs tors. theta energy: -2.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -325.543356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.543356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.543356 (E_RNA)
where:
Base-Base interactions energy: -222.461
where: short stacking energy: -96.589
Base-Backbone interact. energy: -0.371
local terms energy: -102.710952
where:
bonds (distance) C4'-P energy: -20.112
bonds (distance) P-C4' energy: -18.889
flat angles C4'-P-C4' energy: -20.477
flat angles P-C4'-P energy: -16.005
tors. eta vs tors. theta energy: -27.228
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: 10
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -292.120231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.120231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.120231 (E_RNA)
where:
Base-Base interactions energy: -192.338
where: short stacking energy: -78.392
Base-Backbone interact. energy: -0.818
local terms energy: -98.963653
where:
bonds (distance) C4'-P energy: -21.405
bonds (distance) P-C4' energy: -21.181
flat angles C4'-P-C4' energy: -19.251
flat angles P-C4'-P energy: -15.634
tors. eta vs tors. theta energy: -21.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -295.288937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.288937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.288937 (E_RNA)
where:
Base-Base interactions energy: -199.693
where: short stacking energy: -79.434
Base-Backbone interact. energy: -0.016
local terms energy: -95.579746
where:
bonds (distance) C4'-P energy: -22.492
bonds (distance) P-C4' energy: -20.203
flat angles C4'-P-C4' energy: -19.779
flat angles P-C4'-P energy: -13.613
tors. eta vs tors. theta energy: -19.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -308.594980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.594980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.594980 (E_RNA)
where:
Base-Base interactions energy: -210.291
where: short stacking energy: -88.169
Base-Backbone interact. energy: 1.009
local terms energy: -99.313575
where:
bonds (distance) C4'-P energy: -20.229
bonds (distance) P-C4' energy: -23.476
flat angles C4'-P-C4' energy: -17.668
flat angles P-C4'-P energy: -13.523
tors. eta vs tors. theta energy: -24.418
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: 8
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -263.662367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.662367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.662367 (E_RNA)
where:
Base-Base interactions energy: -176.014
where: short stacking energy: -76.704
Base-Backbone interact. energy: -0.313
local terms energy: -87.335474
where:
bonds (distance) C4'-P energy: -16.526
bonds (distance) P-C4' energy: -22.414
flat angles C4'-P-C4' energy: -15.578
flat angles P-C4'-P energy: -17.075
tors. eta vs tors. theta energy: -15.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -202.766591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.766591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.766591 (E_RNA)
where:
Base-Base interactions energy: -129.939
where: short stacking energy: -68.614
Base-Backbone interact. energy: -0.397
local terms energy: -72.429890
where:
bonds (distance) C4'-P energy: -17.404
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -16.493
flat angles P-C4'-P energy: -7.074
tors. eta vs tors. theta energy: -15.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -236.952685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.952685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.952685 (E_RNA)
where:
Base-Base interactions energy: -164.909
where: short stacking energy: -64.903
Base-Backbone interact. energy: -0.516
local terms energy: -71.527943
where:
bonds (distance) C4'-P energy: -16.038
bonds (distance) P-C4' energy: -17.245
flat angles C4'-P-C4' energy: -17.670
flat angles P-C4'-P energy: -9.525
tors. eta vs tors. theta energy: -11.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -127.872966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.872966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.872966 (E_RNA)
where:
Base-Base interactions energy: -56.183
where: short stacking energy: -20.143
Base-Backbone interact. energy: -0.187
local terms energy: -71.503133
where:
bonds (distance) C4'-P energy: -19.173
bonds (distance) P-C4' energy: -19.240
flat angles C4'-P-C4' energy: -13.992
flat angles P-C4'-P energy: -12.211
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: 9, replica: 4
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -130.628807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.628807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.628807 (E_RNA)
where:
Base-Base interactions energy: -66.343
where: short stacking energy: -29.952
Base-Backbone interact. energy: 2.272
local terms energy: -66.557435
where:
bonds (distance) C4'-P energy: -15.004
bonds (distance) P-C4' energy: -20.331
flat angles C4'-P-C4' energy: -16.583
flat angles P-C4'-P energy: -10.273
tors. eta vs tors. theta energy: -4.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -99.080717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.080717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.080717 (E_RNA)
where:
Base-Base interactions energy: -29.320
where: short stacking energy: -30.620
Base-Backbone interact. energy: -0.184
local terms energy: -69.577408
where:
bonds (distance) C4'-P energy: -18.720
bonds (distance) P-C4' energy: -22.212
flat angles C4'-P-C4' energy: -17.971
flat angles P-C4'-P energy: -9.592
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: 2
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -324.371661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.371661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.371661 (E_RNA)
where:
Base-Base interactions energy: -215.419
where: short stacking energy: -96.503
Base-Backbone interact. energy: -0.474
local terms energy: -108.478883
where:
bonds (distance) C4'-P energy: -23.262
bonds (distance) P-C4' energy: -22.384
flat angles C4'-P-C4' energy: -20.643
flat angles P-C4'-P energy: -15.192
tors. eta vs tors. theta energy: -26.998
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: 2, replica: 5
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -293.386790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.386790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.386790 (E_RNA)
where:
Base-Base interactions energy: -204.611
where: short stacking energy: -77.633
Base-Backbone interact. energy: -0.713
local terms energy: -88.063077
where:
bonds (distance) C4'-P energy: -21.320
bonds (distance) P-C4' energy: -21.970
flat angles C4'-P-C4' energy: -17.137
flat angles P-C4'-P energy: -8.903
tors. eta vs tors. theta energy: -18.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -283.916979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.916979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.916979 (E_RNA)
where:
Base-Base interactions energy: -193.857
where: short stacking energy: -76.176
Base-Backbone interact. energy: -0.096
local terms energy: -89.963069
where:
bonds (distance) C4'-P energy: -22.157
bonds (distance) P-C4' energy: -19.428
flat angles C4'-P-C4' energy: -19.046
flat angles P-C4'-P energy: -13.915
tors. eta vs tors. theta energy: -15.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -311.364614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.364614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.364614 (E_RNA)
where:
Base-Base interactions energy: -221.489
where: short stacking energy: -88.760
Base-Backbone interact. energy: -0.116
local terms energy: -89.759737
where:
bonds (distance) C4'-P energy: -16.055
bonds (distance) P-C4' energy: -17.819
flat angles C4'-P-C4' energy: -16.204
flat angles P-C4'-P energy: -13.472
tors. eta vs tors. theta energy: -26.209
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: 8
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -278.180712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.180712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.180712 (E_RNA)
where:
Base-Base interactions energy: -195.458
where: short stacking energy: -90.743
Base-Backbone interact. energy: 0.369
local terms energy: -83.091724
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -17.896
flat angles C4'-P-C4' energy: -20.477
flat angles P-C4'-P energy: -8.896
tors. eta vs tors. theta energy: -19.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -244.768195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.768195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.768195 (E_RNA)
where:
Base-Base interactions energy: -162.395
where: short stacking energy: -65.494
Base-Backbone interact. energy: -0.372
local terms energy: -82.001090
where:
bonds (distance) C4'-P energy: -20.597
bonds (distance) P-C4' energy: -18.406
flat angles C4'-P-C4' energy: -21.590
flat angles P-C4'-P energy: -7.671
tors. eta vs tors. theta energy: -13.737
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: 199
Temperature: 1.200000
Total energy: -167.966763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.966763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.966763 (E_RNA)
where:
Base-Base interactions energy: -95.053
where: short stacking energy: -47.248
Base-Backbone interact. energy: -0.172
local terms energy: -72.742184
where:
bonds (distance) C4'-P energy: -16.067
bonds (distance) P-C4' energy: -16.937
flat angles C4'-P-C4' energy: -19.906
flat angles P-C4'-P energy: -11.965
tors. eta vs tors. theta energy: -7.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -160.214029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.214029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.214029 (E_RNA)
where:
Base-Base interactions energy: -95.309
where: short stacking energy: -50.503
Base-Backbone interact. energy: -0.308
local terms energy: -64.596984
where:
bonds (distance) C4'-P energy: -15.848
bonds (distance) P-C4' energy: -15.222
flat angles C4'-P-C4' energy: -11.283
flat angles P-C4'-P energy: -12.266
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: 9, replica: 1
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -104.246032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.246032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.246032 (E_RNA)
where:
Base-Base interactions energy: -34.882
where: short stacking energy: -30.178
Base-Backbone interact. energy: -0.774
local terms energy: -68.590014
where:
bonds (distance) C4'-P energy: -20.069
bonds (distance) P-C4' energy: -20.285
flat angles C4'-P-C4' energy: -22.780
flat angles P-C4'-P energy: -10.840
tors. eta vs tors. theta energy: 5.383
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: 10, replica: 9
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -115.325859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.325859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.325859 (E_RNA)
where:
Base-Base interactions energy: -61.210
where: short stacking energy: -33.317
Base-Backbone interact. energy: -0.693
local terms energy: -53.422656
where:
bonds (distance) C4'-P energy: -20.124
bonds (distance) P-C4' energy: -16.567
flat angles C4'-P-C4' energy: -10.922
flat angles P-C4'-P energy: -5.515
tors. eta vs tors. theta energy: -0.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -326.404030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.404030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.404030 (E_RNA)
where:
Base-Base interactions energy: -229.692
where: short stacking energy: -96.788
Base-Backbone interact. energy: 0.063
local terms energy: -96.775823
where:
bonds (distance) C4'-P energy: -21.101
bonds (distance) P-C4' energy: -17.127
flat angles C4'-P-C4' energy: -17.686
flat angles P-C4'-P energy: -16.236
tors. eta vs tors. theta energy: -24.626
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: 5
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -304.771296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.771296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.771296 (E_RNA)
where:
Base-Base interactions energy: -216.073
where: short stacking energy: -88.286
Base-Backbone interact. energy: -0.372
local terms energy: -88.325765
where:
bonds (distance) C4'-P energy: -19.752
bonds (distance) P-C4' energy: -18.800
flat angles C4'-P-C4' energy: -23.171
flat angles P-C4'-P energy: -6.688
tors. eta vs tors. theta energy: -19.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -324.420074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.420074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.420074 (E_RNA)
where:
Base-Base interactions energy: -217.289
where: short stacking energy: -94.408
Base-Backbone interact. energy: -0.068
local terms energy: -107.062864
where:
bonds (distance) C4'-P energy: -17.677
bonds (distance) P-C4' energy: -22.187
flat angles C4'-P-C4' energy: -23.842
flat angles P-C4'-P energy: -15.306
tors. eta vs tors. theta energy: -28.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -266.802284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.802284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.802284 (E_RNA)
where:
Base-Base interactions energy: -181.817
where: short stacking energy: -80.102
Base-Backbone interact. energy: -0.440
local terms energy: -84.545203
where:
bonds (distance) C4'-P energy: -14.653
bonds (distance) P-C4' energy: -18.591
flat angles C4'-P-C4' energy: -19.335
flat angles P-C4'-P energy: -15.002
tors. eta vs tors. theta energy: -16.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -267.367618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.367618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.367618 (E_RNA)
where:
Base-Base interactions energy: -179.946
where: short stacking energy: -63.786
Base-Backbone interact. energy: -0.378
local terms energy: -87.044090
where:
bonds (distance) C4'-P energy: -17.338
bonds (distance) P-C4' energy: -20.178
flat angles C4'-P-C4' energy: -18.025
flat angles P-C4'-P energy: -15.521
tors. eta vs tors. theta energy: -15.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -226.586277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.586277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.586277 (E_RNA)
where:
Base-Base interactions energy: -152.634
where: short stacking energy: -70.685
Base-Backbone interact. energy: -0.178
local terms energy: -73.774058
where:
bonds (distance) C4'-P energy: -12.682
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -22.010
flat angles P-C4'-P energy: -9.850
tors. eta vs tors. theta energy: -13.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -166.723916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.723916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.723916 (E_RNA)
where:
Base-Base interactions energy: -88.272
where: short stacking energy: -50.831
Base-Backbone interact. energy: -0.077
local terms energy: -78.374497
where:
bonds (distance) C4'-P energy: -12.303
bonds (distance) P-C4' energy: -18.686
flat angles C4'-P-C4' energy: -20.507
flat angles P-C4'-P energy: -13.995
tors. eta vs tors. theta energy: -12.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -152.838172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.838172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.838172 (E_RNA)
where:
Base-Base interactions energy: -90.952
where: short stacking energy: -55.137
Base-Backbone interact. energy: 0.098
local terms energy: -61.983986
where:
bonds (distance) C4'-P energy: -16.534
bonds (distance) P-C4' energy: -10.391
flat angles C4'-P-C4' energy: -18.430
flat angles P-C4'-P energy: -7.358
tors. eta vs tors. theta energy: -9.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -102.717521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.717521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.717521 (E_RNA)
where:
Base-Base interactions energy: -34.469
where: short stacking energy: -33.777
Base-Backbone interact. energy: -0.238
local terms energy: -68.010113
where:
bonds (distance) C4'-P energy: -19.235
bonds (distance) P-C4' energy: -18.274
flat angles C4'-P-C4' energy: -17.229
flat angles P-C4'-P energy: -9.957
tors. eta vs tors. theta energy: -3.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -99.109852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.109852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.109852 (E_RNA)
where:
Base-Base interactions energy: -48.245
where: short stacking energy: -28.618
Base-Backbone interact. energy: -0.199
local terms energy: -50.665865
where:
bonds (distance) C4'-P energy: -18.696
bonds (distance) P-C4' energy: -10.310
flat angles C4'-P-C4' energy: -5.072
flat angles P-C4'-P energy: -12.060
tors. eta vs tors. theta energy: -4.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -332.511059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.511059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.511059 (E_RNA)
where:
Base-Base interactions energy: -224.053
where: short stacking energy: -100.798
Base-Backbone interact. energy: -0.090
local terms energy: -108.368323
where:
bonds (distance) C4'-P energy: -20.053
bonds (distance) P-C4' energy: -23.745
flat angles C4'-P-C4' energy: -19.734
flat angles P-C4'-P energy: -18.464
tors. eta vs tors. theta energy: -26.372
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: 7
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -318.423631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.423631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.423631 (E_RNA)
where:
Base-Base interactions energy: -222.170
where: short stacking energy: -94.539
Base-Backbone interact. energy: -0.091
local terms energy: -96.162722
where:
bonds (distance) C4'-P energy: -16.271
bonds (distance) P-C4' energy: -16.419
flat angles C4'-P-C4' energy: -22.692
flat angles P-C4'-P energy: -16.618
tors. eta vs tors. theta energy: -24.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -296.249806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.249806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.249806 (E_RNA)
where:
Base-Base interactions energy: -193.347
where: short stacking energy: -80.270
Base-Backbone interact. energy: -0.880
local terms energy: -102.022730
where:
bonds (distance) C4'-P energy: -23.027
bonds (distance) P-C4' energy: -24.045
flat angles C4'-P-C4' energy: -22.097
flat angles P-C4'-P energy: -12.893
tors. eta vs tors. theta energy: -19.961
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: 201
Temperature: 1.050000
Total energy: -271.222029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.222029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.222029 (E_RNA)
where:
Base-Base interactions energy: -188.971
where: short stacking energy: -76.857
Base-Backbone interact. energy: 0.356
local terms energy: -82.606402
where:
bonds (distance) C4'-P energy: -14.810
bonds (distance) P-C4' energy: -23.650
flat angles C4'-P-C4' energy: -15.401
flat angles P-C4'-P energy: -12.979
tors. eta vs tors. theta energy: -15.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -285.529015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.529015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.529015 (E_RNA)
where:
Base-Base interactions energy: -194.793
where: short stacking energy: -76.678
Base-Backbone interact. energy: -0.036
local terms energy: -90.700198
where:
bonds (distance) C4'-P energy: -19.226
bonds (distance) P-C4' energy: -20.435
flat angles C4'-P-C4' energy: -13.883
flat angles P-C4'-P energy: -13.030
tors. eta vs tors. theta energy: -24.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -178.078381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.078381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.078381 (E_RNA)
where:
Base-Base interactions energy: -107.857
where: short stacking energy: -61.770
Base-Backbone interact. energy: -0.125
local terms energy: -70.096431
where:
bonds (distance) C4'-P energy: -16.133
bonds (distance) P-C4' energy: -15.847
flat angles C4'-P-C4' energy: -14.461
flat angles P-C4'-P energy: -13.234
tors. eta vs tors. theta energy: -10.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -233.599488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.599488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.599488 (E_RNA)
where:
Base-Base interactions energy: -152.789
where: short stacking energy: -69.263
Base-Backbone interact. energy: -0.065
local terms energy: -80.745602
where:
bonds (distance) C4'-P energy: -19.259
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -17.449
flat angles P-C4'-P energy: -12.018
tors. eta vs tors. theta energy: -16.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -166.735624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.735624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.735624 (E_RNA)
where:
Base-Base interactions energy: -90.150
where: short stacking energy: -48.421
Base-Backbone interact. energy: -0.504
local terms energy: -76.081438
where:
bonds (distance) C4'-P energy: -16.014
bonds (distance) P-C4' energy: -18.416
flat angles C4'-P-C4' energy: -16.744
flat angles P-C4'-P energy: -14.724
tors. eta vs tors. theta energy: -10.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -144.980050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.980050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.980050 (E_RNA)
where:
Base-Base interactions energy: -70.130
where: short stacking energy: -46.508
Base-Backbone interact. energy: -0.318
local terms energy: -74.532168
where:
bonds (distance) C4'-P energy: -19.658
bonds (distance) P-C4' energy: -18.675
flat angles C4'-P-C4' energy: -17.962
flat angles P-C4'-P energy: -11.028
tors. eta vs tors. theta energy: -7.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -92.222523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.222523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.222523 (E_RNA)
where:
Base-Base interactions energy: -41.711
where: short stacking energy: -21.239
Base-Backbone interact. energy: -0.874
local terms energy: -49.638008
where:
bonds (distance) C4'-P energy: -15.525
bonds (distance) P-C4' energy: -15.750
flat angles C4'-P-C4' energy: -11.613
flat angles P-C4'-P energy: -8.740
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: 1, replica: 2
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -333.839285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.839285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.839285 (E_RNA)
where:
Base-Base interactions energy: -227.066
where: short stacking energy: -95.844
Base-Backbone interact. energy: -0.529
local terms energy: -106.243939
where:
bonds (distance) C4'-P energy: -22.310
bonds (distance) P-C4' energy: -20.877
flat angles C4'-P-C4' energy: -19.591
flat angles P-C4'-P energy: -15.609
tors. eta vs tors. theta energy: -27.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -325.793116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.793116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.793116 (E_RNA)
where:
Base-Base interactions energy: -220.955
where: short stacking energy: -103.076
Base-Backbone interact. energy: 0.301
local terms energy: -105.139138
where:
bonds (distance) C4'-P energy: -18.154
bonds (distance) P-C4' energy: -21.411
flat angles C4'-P-C4' energy: -24.148
flat angles P-C4'-P energy: -13.927
tors. eta vs tors. theta energy: -27.499
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: 3, replica: 10
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -281.178664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.178664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.178664 (E_RNA)
where:
Base-Base interactions energy: -182.268
where: short stacking energy: -78.115
Base-Backbone interact. energy: -0.004
local terms energy: -98.906640
where:
bonds (distance) C4'-P energy: -18.270
bonds (distance) P-C4' energy: -24.618
flat angles C4'-P-C4' energy: -19.850
flat angles P-C4'-P energy: -15.612
tors. eta vs tors. theta energy: -20.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -284.847335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.847335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.847335 (E_RNA)
where:
Base-Base interactions energy: -193.185
where: short stacking energy: -66.320
Base-Backbone interact. energy: -0.324
local terms energy: -91.337613
where:
bonds (distance) C4'-P energy: -16.337
bonds (distance) P-C4' energy: -19.376
flat angles C4'-P-C4' energy: -21.287
flat angles P-C4'-P energy: -12.186
tors. eta vs tors. theta energy: -22.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -282.166934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.166934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.166934 (E_RNA)
where:
Base-Base interactions energy: -189.887
where: short stacking energy: -75.865
Base-Backbone interact. energy: -0.567
local terms energy: -91.712201
where:
bonds (distance) C4'-P energy: -16.191
bonds (distance) P-C4' energy: -21.094
flat angles C4'-P-C4' energy: -21.304
flat angles P-C4'-P energy: -14.970
tors. eta vs tors. theta energy: -18.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -170.850228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.850228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.850228 (E_RNA)
where:
Base-Base interactions energy: -101.559
where: short stacking energy: -60.648
Base-Backbone interact. energy: -0.264
local terms energy: -69.027439
where:
bonds (distance) C4'-P energy: -16.331
bonds (distance) P-C4' energy: -19.371
flat angles C4'-P-C4' energy: -15.055
flat angles P-C4'-P energy: -10.897
tors. eta vs tors. theta energy: -7.373
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: 3
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -239.588945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.588945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.588945 (E_RNA)
where:
Base-Base interactions energy: -160.068
where: short stacking energy: -64.353
Base-Backbone interact. energy: -0.307
local terms energy: -79.214047
where:
bonds (distance) C4'-P energy: -15.905
bonds (distance) P-C4' energy: -20.555
flat angles C4'-P-C4' energy: -19.617
flat angles P-C4'-P energy: -9.803
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: 8, replica: 4
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -151.405166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.405166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.405166 (E_RNA)
where:
Base-Base interactions energy: -73.172
where: short stacking energy: -39.696
Base-Backbone interact. energy: 1.360
local terms energy: -79.593340
where:
bonds (distance) C4'-P energy: -22.661
bonds (distance) P-C4' energy: -21.121
flat angles C4'-P-C4' energy: -21.853
flat angles P-C4'-P energy: -12.020
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: 9, replica: 9
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -162.176971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.176971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.176971 (E_RNA)
where:
Base-Base interactions energy: -91.390
where: short stacking energy: -49.953
Base-Backbone interact. energy: -0.131
local terms energy: -70.655620
where:
bonds (distance) C4'-P energy: -15.836
bonds (distance) P-C4' energy: -19.558
flat angles C4'-P-C4' energy: -17.717
flat angles P-C4'-P energy: -11.062
tors. eta vs tors. theta energy: -6.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -96.499229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.499229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.499229 (E_RNA)
where:
Base-Base interactions energy: -32.882
where: short stacking energy: -25.198
Base-Backbone interact. energy: -0.352
local terms energy: -63.265289
where:
bonds (distance) C4'-P energy: -17.930
bonds (distance) P-C4' energy: -17.765
flat angles C4'-P-C4' energy: -17.489
flat angles P-C4'-P energy: -9.499
tors. eta vs tors. theta energy: -0.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -333.623224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.623224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.623224 (E_RNA)
where:
Base-Base interactions energy: -229.050
where: short stacking energy: -97.941
Base-Backbone interact. energy: -0.892
local terms energy: -103.681649
where:
bonds (distance) C4'-P energy: -22.058
bonds (distance) P-C4' energy: -19.624
flat angles C4'-P-C4' energy: -20.501
flat angles P-C4'-P energy: -13.666
tors. eta vs tors. theta energy: -27.833
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: 7
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -331.565620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.565620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.565620 (E_RNA)
where:
Base-Base interactions energy: -223.672
where: short stacking energy: -92.885
Base-Backbone interact. energy: -0.747
local terms energy: -107.146788
where:
bonds (distance) C4'-P energy: -20.957
bonds (distance) P-C4' energy: -23.762
flat angles C4'-P-C4' energy: -20.502
flat angles P-C4'-P energy: -15.340
tors. eta vs tors. theta energy: -26.587
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: 10
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -284.508922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.508922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.508922 (E_RNA)
where:
Base-Base interactions energy: -196.360
where: short stacking energy: -78.170
Base-Backbone interact. energy: 0.127
local terms energy: -88.275442
where:
bonds (distance) C4'-P energy: -17.478
bonds (distance) P-C4' energy: -17.928
flat angles C4'-P-C4' energy: -20.006
flat angles P-C4'-P energy: -14.248
tors. eta vs tors. theta energy: -18.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -291.104580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.104580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.104580 (E_RNA)
where:
Base-Base interactions energy: -192.313
where: short stacking energy: -74.928
Base-Backbone interact. energy: -0.563
local terms energy: -98.228456
where:
bonds (distance) C4'-P energy: -20.612
bonds (distance) P-C4' energy: -21.013
flat angles C4'-P-C4' energy: -20.776
flat angles P-C4'-P energy: -16.094
tors. eta vs tors. theta energy: -19.733
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: 5
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -281.543840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.543840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.543840 (E_RNA)
where:
Base-Base interactions energy: -185.936
where: short stacking energy: -79.080
Base-Backbone interact. energy: 0.522
local terms energy: -96.129476
where:
bonds (distance) C4'-P energy: -17.677
bonds (distance) P-C4' energy: -20.503
flat angles C4'-P-C4' energy: -19.490
flat angles P-C4'-P energy: -11.789
tors. eta vs tors. theta energy: -26.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -230.129758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.129758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.129758 (E_RNA)
where:
Base-Base interactions energy: -151.399
where: short stacking energy: -67.501
Base-Backbone interact. energy: -0.300
local terms energy: -78.430829
where:
bonds (distance) C4'-P energy: -17.772
bonds (distance) P-C4' energy: -21.319
flat angles C4'-P-C4' energy: -16.678
flat angles P-C4'-P energy: -7.823
tors. eta vs tors. theta energy: -14.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -185.375408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.375408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.375408 (E_RNA)
where:
Base-Base interactions energy: -112.012
where: short stacking energy: -47.527
Base-Backbone interact. energy: -0.471
local terms energy: -72.892447
where:
bonds (distance) C4'-P energy: -14.594
bonds (distance) P-C4' energy: -19.962
flat angles C4'-P-C4' energy: -18.577
flat angles P-C4'-P energy: -11.649
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: 9
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -156.161112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.161112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.161112 (E_RNA)
where:
Base-Base interactions energy: -86.533
where: short stacking energy: -40.116
Base-Backbone interact. energy: -0.188
local terms energy: -69.439972
where:
bonds (distance) C4'-P energy: -17.032
bonds (distance) P-C4' energy: -21.092
flat angles C4'-P-C4' energy: -17.294
flat angles P-C4'-P energy: -12.775
tors. eta vs tors. theta energy: -1.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -104.691606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.691606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.691606 (E_RNA)
where:
Base-Base interactions energy: -33.397
where: short stacking energy: -32.262
Base-Backbone interact. energy: -0.193
local terms energy: -71.101678
where:
bonds (distance) C4'-P energy: -20.239
bonds (distance) P-C4' energy: -18.077
flat angles C4'-P-C4' energy: -16.392
flat angles P-C4'-P energy: -14.335
tors. eta vs tors. theta energy: -2.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -105.854104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.854104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.854104 (E_RNA)
where:
Base-Base interactions energy: -37.618
where: short stacking energy: -33.532
Base-Backbone interact. energy: -0.115
local terms energy: -68.120557
where:
bonds (distance) C4'-P energy: -13.015
bonds (distance) P-C4' energy: -22.427
flat angles C4'-P-C4' energy: -16.997
flat angles P-C4'-P energy: -11.534
tors. eta vs tors. theta energy: -4.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -329.012211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.012211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.012211 (E_RNA)
where:
Base-Base interactions energy: -225.597
where: short stacking energy: -101.079
Base-Backbone interact. energy: -0.289
local terms energy: -103.126207
where:
bonds (distance) C4'-P energy: -23.619
bonds (distance) P-C4' energy: -19.449
flat angles C4'-P-C4' energy: -21.906
flat angles P-C4'-P energy: -10.699
tors. eta vs tors. theta energy: -27.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -330.162540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.162540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.162540 (E_RNA)
where:
Base-Base interactions energy: -230.474
where: short stacking energy: -100.623
Base-Backbone interact. energy: -0.425
local terms energy: -99.264362
where:
bonds (distance) C4'-P energy: -16.290
bonds (distance) P-C4' energy: -22.827
flat angles C4'-P-C4' energy: -21.703
flat angles P-C4'-P energy: -11.965
tors. eta vs tors. theta energy: -26.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -298.131277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.131277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.131277 (E_RNA)
where:
Base-Base interactions energy: -200.103
where: short stacking energy: -85.386
Base-Backbone interact. energy: -1.307
local terms energy: -96.721125
where:
bonds (distance) C4'-P energy: -16.657
bonds (distance) P-C4' energy: -21.017
flat angles C4'-P-C4' energy: -20.790
flat angles P-C4'-P energy: -12.000
tors. eta vs tors. theta energy: -26.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -275.527847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.527847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.527847 (E_RNA)
where:
Base-Base interactions energy: -189.701
where: short stacking energy: -81.406
Base-Backbone interact. energy: -0.288
local terms energy: -85.538956
where:
bonds (distance) C4'-P energy: -17.599
bonds (distance) P-C4' energy: -14.792
flat angles C4'-P-C4' energy: -18.771
flat angles P-C4'-P energy: -12.666
tors. eta vs tors. theta energy: -21.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -275.938607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.938607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.938607 (E_RNA)
where:
Base-Base interactions energy: -188.283
where: short stacking energy: -77.310
Base-Backbone interact. energy: -0.136
local terms energy: -87.518950
where:
bonds (distance) C4'-P energy: -15.472
bonds (distance) P-C4' energy: -18.679
flat angles C4'-P-C4' energy: -18.157
flat angles P-C4'-P energy: -12.287
tors. eta vs tors. theta energy: -22.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -251.494773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.494773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.494773 (E_RNA)
where:
Base-Base interactions energy: -168.164
where: short stacking energy: -72.817
Base-Backbone interact. energy: -0.653
local terms energy: -82.677120
where:
bonds (distance) C4'-P energy: -21.068
bonds (distance) P-C4' energy: -17.032
flat angles C4'-P-C4' energy: -20.350
flat angles P-C4'-P energy: -5.665
tors. eta vs tors. theta energy: -18.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -214.783440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.783440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.783440 (E_RNA)
where:
Base-Base interactions energy: -143.489
where: short stacking energy: -64.193
Base-Backbone interact. energy: -1.540
local terms energy: -69.754493
where:
bonds (distance) C4'-P energy: -19.867
bonds (distance) P-C4' energy: -23.098
flat angles C4'-P-C4' energy: -13.257
flat angles P-C4'-P energy: -5.966
tors. eta vs tors. theta energy: -7.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -171.977491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.977491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.977491 (E_RNA)
where:
Base-Base interactions energy: -97.569
where: short stacking energy: -41.566
Base-Backbone interact. energy: -0.573
local terms energy: -73.835051
where:
bonds (distance) C4'-P energy: -19.698
bonds (distance) P-C4' energy: -22.154
flat angles C4'-P-C4' energy: -13.603
flat angles P-C4'-P energy: -6.993
tors. eta vs tors. theta energy: -11.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -129.877348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.877348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.877348 (E_RNA)
where:
Base-Base interactions energy: -59.278
where: short stacking energy: -54.092
Base-Backbone interact. energy: -0.155
local terms energy: -70.443931
where:
bonds (distance) C4'-P energy: -11.048
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -19.577
flat angles P-C4'-P energy: -12.789
tors. eta vs tors. theta energy: -10.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -101.515054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.515054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.515054 (E_RNA)
where:
Base-Base interactions energy: -48.547
where: short stacking energy: -30.117
Base-Backbone interact. energy: -0.972
local terms energy: -51.995801
where:
bonds (distance) C4'-P energy: -13.032
bonds (distance) P-C4' energy: -20.548
flat angles C4'-P-C4' energy: -13.223
flat angles P-C4'-P energy: -2.314
tors. eta vs tors. theta energy: -2.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -338.064055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.064055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.064055 (E_RNA)
where:
Base-Base interactions energy: -237.207
where: short stacking energy: -95.107
Base-Backbone interact. energy: -0.281
local terms energy: -100.575547
where:
bonds (distance) C4'-P energy: -18.968
bonds (distance) P-C4' energy: -19.212
flat angles C4'-P-C4' energy: -22.193
flat angles P-C4'-P energy: -13.067
tors. eta vs tors. theta energy: -27.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -309.006376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.006376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.006376 (E_RNA)
where:
Base-Base interactions energy: -207.343
where: short stacking energy: -91.063
Base-Backbone interact. energy: -1.163
local terms energy: -100.501184
where:
bonds (distance) C4'-P energy: -17.730
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -25.872
flat angles P-C4'-P energy: -13.848
tors. eta vs tors. theta energy: -25.972
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: 2
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -322.330966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.330966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.330966 (E_RNA)
where:
Base-Base interactions energy: -224.104
where: short stacking energy: -98.201
Base-Backbone interact. energy: -0.286
local terms energy: -97.941128
where:
bonds (distance) C4'-P energy: -18.707
bonds (distance) P-C4' energy: -18.509
flat angles C4'-P-C4' energy: -19.941
flat angles P-C4'-P energy: -14.025
tors. eta vs tors. theta energy: -26.759
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: 10
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -281.620668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.620668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.620668 (E_RNA)
where:
Base-Base interactions energy: -188.707
where: short stacking energy: -75.404
Base-Backbone interact. energy: -0.126
local terms energy: -92.787689
where:
bonds (distance) C4'-P energy: -23.677
bonds (distance) P-C4' energy: -22.940
flat angles C4'-P-C4' energy: -19.326
flat angles P-C4'-P energy: -10.225
tors. eta vs tors. theta energy: -16.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -275.136407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.136407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.136407 (E_RNA)
where:
Base-Base interactions energy: -181.988
where: short stacking energy: -70.455
Base-Backbone interact. energy: -0.021
local terms energy: -93.127058
where:
bonds (distance) C4'-P energy: -20.231
bonds (distance) P-C4' energy: -23.941
flat angles C4'-P-C4' energy: -20.471
flat angles P-C4'-P energy: -8.417
tors. eta vs tors. theta energy: -20.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -260.659436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.659436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.659436 (E_RNA)
where:
Base-Base interactions energy: -178.230
where: short stacking energy: -73.959
Base-Backbone interact. energy: -0.516
local terms energy: -81.913398
where:
bonds (distance) C4'-P energy: -14.394
bonds (distance) P-C4' energy: -19.221
flat angles C4'-P-C4' energy: -20.216
flat angles P-C4'-P energy: -4.350
tors. eta vs tors. theta energy: -23.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -215.688372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.688372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.688372 (E_RNA)
where:
Base-Base interactions energy: -147.392
where: short stacking energy: -62.097
Base-Backbone interact. energy: 0.076
local terms energy: -68.372445
where:
bonds (distance) C4'-P energy: -11.469
bonds (distance) P-C4' energy: -16.761
flat angles C4'-P-C4' energy: -19.401
flat angles P-C4'-P energy: -12.221
tors. eta vs tors. theta energy: -8.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -118.062508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.062508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.062508 (E_RNA)
where:
Base-Base interactions energy: -47.740
where: short stacking energy: -42.100
Base-Backbone interact. energy: -0.253
local terms energy: -70.069820
where:
bonds (distance) C4'-P energy: -18.482
bonds (distance) P-C4' energy: -18.592
flat angles C4'-P-C4' energy: -20.603
flat angles P-C4'-P energy: -6.476
tors. eta vs tors. theta energy: -5.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -114.539882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.539882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.539882 (E_RNA)
where:
Base-Base interactions energy: -46.911
where: short stacking energy: -34.589
Base-Backbone interact. energy: -0.400
local terms energy: -67.228392
where:
bonds (distance) C4'-P energy: -14.749
bonds (distance) P-C4' energy: -19.476
flat angles C4'-P-C4' energy: -18.100
flat angles P-C4'-P energy: -9.336
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: 10, replica: 4
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -108.005668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.005668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.005668 (E_RNA)
where:
Base-Base interactions energy: -36.196
where: short stacking energy: -25.296
Base-Backbone interact. energy: -0.246
local terms energy: -71.563246
where:
bonds (distance) C4'-P energy: -21.110
bonds (distance) P-C4' energy: -16.961
flat angles C4'-P-C4' energy: -17.408
flat angles P-C4'-P energy: -14.092
tors. eta vs tors. theta energy: -1.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -324.276629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.276629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.276629 (E_RNA)
where:
Base-Base interactions energy: -220.973
where: short stacking energy: -93.281
Base-Backbone interact. energy: -0.884
local terms energy: -102.419861
where:
bonds (distance) C4'-P energy: -20.691
bonds (distance) P-C4' energy: -21.359
flat angles C4'-P-C4' energy: -17.954
flat angles P-C4'-P energy: -15.562
tors. eta vs tors. theta energy: -26.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -296.949540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.949540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.949540 (E_RNA)
where:
Base-Base interactions energy: -194.739
where: short stacking energy: -88.317
Base-Backbone interact. energy: -0.666
local terms energy: -101.544549
where:
bonds (distance) C4'-P energy: -20.645
bonds (distance) P-C4' energy: -18.260
flat angles C4'-P-C4' energy: -21.882
flat angles P-C4'-P energy: -17.052
tors. eta vs tors. theta energy: -23.705
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: 206
Temperature: 1.000000
Total energy: -304.139231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.139231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.139231 (E_RNA)
where:
Base-Base interactions energy: -209.032
where: short stacking energy: -83.009
Base-Backbone interact. energy: -0.142
local terms energy: -94.965326
where:
bonds (distance) C4'-P energy: -16.138
bonds (distance) P-C4' energy: -18.279
flat angles C4'-P-C4' energy: -19.375
flat angles P-C4'-P energy: -16.075
tors. eta vs tors. theta energy: -25.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -296.774279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.774279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.774279 (E_RNA)
where:
Base-Base interactions energy: -210.933
where: short stacking energy: -82.695
Base-Backbone interact. energy: 0.142
local terms energy: -85.983308
where:
bonds (distance) C4'-P energy: -13.052
bonds (distance) P-C4' energy: -22.684
flat angles C4'-P-C4' energy: -21.163
flat angles P-C4'-P energy: -11.237
tors. eta vs tors. theta energy: -17.848
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: 3
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -281.548137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.548137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.548137 (E_RNA)
where:
Base-Base interactions energy: -189.482
where: short stacking energy: -73.224
Base-Backbone interact. energy: -0.198
local terms energy: -91.867943
where:
bonds (distance) C4'-P energy: -18.035
bonds (distance) P-C4' energy: -22.573
flat angles C4'-P-C4' energy: -19.780
flat angles P-C4'-P energy: -13.213
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: 6, replica: 5
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -268.597675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.597675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.597675 (E_RNA)
where:
Base-Base interactions energy: -183.564
where: short stacking energy: -72.378
Base-Backbone interact. energy: -0.686
local terms energy: -84.348482
where:
bonds (distance) C4'-P energy: -17.454
bonds (distance) P-C4' energy: -22.215
flat angles C4'-P-C4' energy: -18.005
flat angles P-C4'-P energy: -8.218
tors. eta vs tors. theta energy: -18.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -181.881657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.881657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.881657 (E_RNA)
where:
Base-Base interactions energy: -115.154
where: short stacking energy: -46.660
Base-Backbone interact. energy: 1.077
local terms energy: -67.805407
where:
bonds (distance) C4'-P energy: -23.105
bonds (distance) P-C4' energy: -18.293
flat angles C4'-P-C4' energy: -13.438
flat angles P-C4'-P energy: -3.243
tors. eta vs tors. theta energy: -9.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -138.465863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.465863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.465863 (E_RNA)
where:
Base-Base interactions energy: -64.625
where: short stacking energy: -39.756
Base-Backbone interact. energy: -0.090
local terms energy: -73.750641
where:
bonds (distance) C4'-P energy: -21.022
bonds (distance) P-C4' energy: -21.210
flat angles C4'-P-C4' energy: -20.430
flat angles P-C4'-P energy: -4.668
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: 9, replica: 9
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -122.013676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.013676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.013676 (E_RNA)
where:
Base-Base interactions energy: -37.685
where: short stacking energy: -26.369
Base-Backbone interact. energy: -0.234
local terms energy: -84.094424
where:
bonds (distance) C4'-P energy: -18.978
bonds (distance) P-C4' energy: -24.572
flat angles C4'-P-C4' energy: -16.435
flat angles P-C4'-P energy: -16.704
tors. eta vs tors. theta energy: -7.406
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: 4
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -114.735989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.735989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.735989 (E_RNA)
where:
Base-Base interactions energy: -53.652
where: short stacking energy: -41.545
Base-Backbone interact. energy: -1.003
local terms energy: -60.081943
where:
bonds (distance) C4'-P energy: -16.920
bonds (distance) P-C4' energy: -13.900
flat angles C4'-P-C4' energy: -14.471
flat angles P-C4'-P energy: -12.215
tors. eta vs tors. theta energy: -2.576
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: 1, replica: 7
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -331.093491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.093491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.093491 (E_RNA)
where:
Base-Base interactions energy: -222.139
where: short stacking energy: -87.792
Base-Backbone interact. energy: -0.564
local terms energy: -108.390084
where:
bonds (distance) C4'-P energy: -19.492
bonds (distance) P-C4' energy: -23.053
flat angles C4'-P-C4' energy: -22.060
flat angles P-C4'-P energy: -16.289
tors. eta vs tors. theta energy: -27.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -333.663329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.663329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.663329 (E_RNA)
where:
Base-Base interactions energy: -233.705
where: short stacking energy: -96.843
Base-Backbone interact. energy: -0.091
local terms energy: -99.867184
where:
bonds (distance) C4'-P energy: -19.168
bonds (distance) P-C4' energy: -18.210
flat angles C4'-P-C4' energy: -22.403
flat angles P-C4'-P energy: -13.885
tors. eta vs tors. theta energy: -26.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -302.484217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.484217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.484217 (E_RNA)
where:
Base-Base interactions energy: -205.455
where: short stacking energy: -100.232
Base-Backbone interact. energy: -0.622
local terms energy: -96.407212
where:
bonds (distance) C4'-P energy: -14.749
bonds (distance) P-C4' energy: -20.227
flat angles C4'-P-C4' energy: -21.342
flat angles P-C4'-P energy: -13.445
tors. eta vs tors. theta energy: -26.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -288.402436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.402436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.402436 (E_RNA)
where:
Base-Base interactions energy: -199.906
where: short stacking energy: -76.787
Base-Backbone interact. energy: -0.279
local terms energy: -88.217496
where:
bonds (distance) C4'-P energy: -13.704
bonds (distance) P-C4' energy: -21.472
flat angles C4'-P-C4' energy: -20.236
flat angles P-C4'-P energy: -13.780
tors. eta vs tors. theta energy: -19.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -281.940530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.940530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.940530 (E_RNA)
where:
Base-Base interactions energy: -188.999
where: short stacking energy: -75.156
Base-Backbone interact. energy: 0.260
local terms energy: -93.200905
where:
bonds (distance) C4'-P energy: -16.844
bonds (distance) P-C4' energy: -17.135
flat angles C4'-P-C4' energy: -21.825
flat angles P-C4'-P energy: -12.999
tors. eta vs tors. theta energy: -24.399
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: 5
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -255.896871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.896871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.896871 (E_RNA)
where:
Base-Base interactions energy: -174.710
where: short stacking energy: -65.322
Base-Backbone interact. energy: -0.682
local terms energy: -80.505680
where:
bonds (distance) C4'-P energy: -23.031
bonds (distance) P-C4' energy: -18.154
flat angles C4'-P-C4' energy: -18.510
flat angles P-C4'-P energy: -3.682
tors. eta vs tors. theta energy: -17.129
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: 6
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -175.718303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.718303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.718303 (E_RNA)
where:
Base-Base interactions energy: -101.708
where: short stacking energy: -57.095
Base-Backbone interact. energy: -0.009
local terms energy: -74.001690
where:
bonds (distance) C4'-P energy: -14.585
bonds (distance) P-C4' energy: -19.397
flat angles C4'-P-C4' energy: -18.877
flat angles P-C4'-P energy: -7.872
tors. eta vs tors. theta energy: -13.270
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: 9
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -123.809458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.809458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.809458 (E_RNA)
where:
Base-Base interactions energy: -48.794
where: short stacking energy: -29.141
Base-Backbone interact. energy: -0.178
local terms energy: -74.837490
where:
bonds (distance) C4'-P energy: -20.166
bonds (distance) P-C4' energy: -21.209
flat angles C4'-P-C4' energy: -9.311
flat angles P-C4'-P energy: -14.784
tors. eta vs tors. theta energy: -9.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -126.279303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.279303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.279303 (E_RNA)
where:
Base-Base interactions energy: -68.123
where: short stacking energy: -40.210
Base-Backbone interact. energy: 1.183
local terms energy: -59.339802
where:
bonds (distance) C4'-P energy: -18.167
bonds (distance) P-C4' energy: -18.462
flat angles C4'-P-C4' energy: -11.134
flat angles P-C4'-P energy: -4.694
tors. eta vs tors. theta energy: -6.882
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: 4
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -98.029673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.029673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.029673 (E_RNA)
where:
Base-Base interactions energy: -40.361
where: short stacking energy: -40.067
Base-Backbone interact. energy: -0.463
local terms energy: -57.206085
where:
bonds (distance) C4'-P energy: -12.035
bonds (distance) P-C4' energy: -20.771
flat angles C4'-P-C4' energy: -17.185
flat angles P-C4'-P energy: -5.366
tors. eta vs tors. theta energy: -1.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -329.695995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.695995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.695995 (E_RNA)
where:
Base-Base interactions energy: -229.790
where: short stacking energy: -99.592
Base-Backbone interact. energy: -0.572
local terms energy: -99.334198
where:
bonds (distance) C4'-P energy: -21.429
bonds (distance) P-C4' energy: -22.255
flat angles C4'-P-C4' energy: -19.793
flat angles P-C4'-P energy: -9.318
tors. eta vs tors. theta energy: -26.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -325.052362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.052362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.052362 (E_RNA)
where:
Base-Base interactions energy: -229.559
where: short stacking energy: -99.288
Base-Backbone interact. energy: 0.466
local terms energy: -95.958982
where:
bonds (distance) C4'-P energy: -16.315
bonds (distance) P-C4' energy: -15.066
flat angles C4'-P-C4' energy: -21.511
flat angles P-C4'-P energy: -13.487
tors. eta vs tors. theta energy: -29.580
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: 10
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -293.062076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.062076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.062076 (E_RNA)
where:
Base-Base interactions energy: -197.548
where: short stacking energy: -85.810
Base-Backbone interact. energy: -0.108
local terms energy: -95.405745
where:
bonds (distance) C4'-P energy: -19.015
bonds (distance) P-C4' energy: -18.234
flat angles C4'-P-C4' energy: -17.336
flat angles P-C4'-P energy: -14.220
tors. eta vs tors. theta energy: -26.601
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: 8
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -292.116674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.116674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.116674 (E_RNA)
where:
Base-Base interactions energy: -204.249
where: short stacking energy: -90.605
Base-Backbone interact. energy: -0.970
local terms energy: -86.897909
where:
bonds (distance) C4'-P energy: -16.552
bonds (distance) P-C4' energy: -16.976
flat angles C4'-P-C4' energy: -18.647
flat angles P-C4'-P energy: -12.997
tors. eta vs tors. theta energy: -21.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -291.024194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.024194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.024194 (E_RNA)
where:
Base-Base interactions energy: -199.629
where: short stacking energy: -73.995
Base-Backbone interact. energy: -0.719
local terms energy: -90.675541
where:
bonds (distance) C4'-P energy: -18.294
bonds (distance) P-C4' energy: -17.918
flat angles C4'-P-C4' energy: -20.222
flat angles P-C4'-P energy: -10.210
tors. eta vs tors. theta energy: -24.032
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: 208
Temperature: 1.150000
Total energy: -270.778453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.778453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.778453 (E_RNA)
where:
Base-Base interactions energy: -185.649
where: short stacking energy: -83.345
Base-Backbone interact. energy: -0.603
local terms energy: -84.526497
where:
bonds (distance) C4'-P energy: -19.246
bonds (distance) P-C4' energy: -10.949
flat angles C4'-P-C4' energy: -22.540
flat angles P-C4'-P energy: -9.867
tors. eta vs tors. theta energy: -21.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -197.547688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.547688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.547688 (E_RNA)
where:
Base-Base interactions energy: -121.394
where: short stacking energy: -61.059
Base-Backbone interact. energy: -0.131
local terms energy: -76.022700
where:
bonds (distance) C4'-P energy: -19.433
bonds (distance) P-C4' energy: -16.076
flat angles C4'-P-C4' energy: -13.669
flat angles P-C4'-P energy: -13.318
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: 8, replica: 9
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -113.727545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.727545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.727545 (E_RNA)
where:
Base-Base interactions energy: -38.887
where: short stacking energy: -27.606
Base-Backbone interact. energy: -1.357
local terms energy: -73.483623
where:
bonds (distance) C4'-P energy: -23.399
bonds (distance) P-C4' energy: -18.450
flat angles C4'-P-C4' energy: -20.700
flat angles P-C4'-P energy: -9.534
tors. eta vs tors. theta energy: -1.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -125.075390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.075390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.075390 (E_RNA)
where:
Base-Base interactions energy: -69.356
where: short stacking energy: -29.610
Base-Backbone interact. energy: 2.144
local terms energy: -57.862827
where:
bonds (distance) C4'-P energy: -19.831
bonds (distance) P-C4' energy: -15.957
flat angles C4'-P-C4' energy: -14.066
flat angles P-C4'-P energy: -3.082
tors. eta vs tors. theta energy: -4.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -100.190045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.190045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.190045 (E_RNA)
where:
Base-Base interactions energy: -34.548
where: short stacking energy: -26.608
Base-Backbone interact. energy: 2.369
local terms energy: -68.010821
where:
bonds (distance) C4'-P energy: -17.237
bonds (distance) P-C4' energy: -22.493
flat angles C4'-P-C4' energy: -12.898
flat angles P-C4'-P energy: -10.192
tors. eta vs tors. theta energy: -5.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -321.918419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.918419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.918419 (E_RNA)
where:
Base-Base interactions energy: -224.251
where: short stacking energy: -103.289
Base-Backbone interact. energy: -0.225
local terms energy: -97.442476
where:
bonds (distance) C4'-P energy: -15.979
bonds (distance) P-C4' energy: -18.546
flat angles C4'-P-C4' energy: -23.360
flat angles P-C4'-P energy: -10.820
tors. eta vs tors. theta energy: -28.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -322.123420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.123420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.123420 (E_RNA)
where:
Base-Base interactions energy: -218.747
where: short stacking energy: -93.820
Base-Backbone interact. energy: -0.197
local terms energy: -103.179544
where:
bonds (distance) C4'-P energy: -19.415
bonds (distance) P-C4' energy: -25.039
flat angles C4'-P-C4' energy: -18.957
flat angles P-C4'-P energy: -13.794
tors. eta vs tors. theta energy: -25.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -275.222537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.222537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.222537 (E_RNA)
where:
Base-Base interactions energy: -190.131
where: short stacking energy: -74.831
Base-Backbone interact. energy: -0.563
local terms energy: -84.527785
where:
bonds (distance) C4'-P energy: -20.219
bonds (distance) P-C4' energy: -18.166
flat angles C4'-P-C4' energy: -17.819
flat angles P-C4'-P energy: -10.338
tors. eta vs tors. theta energy: -17.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -290.898706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.898706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.898706 (E_RNA)
where:
Base-Base interactions energy: -184.760
where: short stacking energy: -78.783
Base-Backbone interact. energy: -0.100
local terms energy: -106.038977
where:
bonds (distance) C4'-P energy: -19.922
bonds (distance) P-C4' energy: -22.541
flat angles C4'-P-C4' energy: -23.680
flat angles P-C4'-P energy: -16.050
tors. eta vs tors. theta energy: -23.846
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: 8
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -298.926882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.926882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.926882 (E_RNA)
where:
Base-Base interactions energy: -195.216
where: short stacking energy: -78.548
Base-Backbone interact. energy: -0.912
local terms energy: -102.799563
where:
bonds (distance) C4'-P energy: -18.800
bonds (distance) P-C4' energy: -21.747
flat angles C4'-P-C4' energy: -23.627
flat angles P-C4'-P energy: -15.730
tors. eta vs tors. theta energy: -22.895
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: 6
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -193.980036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.980036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.980036 (E_RNA)
where:
Base-Base interactions energy: -115.130
where: short stacking energy: -52.293
Base-Backbone interact. energy: -0.163
local terms energy: -78.687471
where:
bonds (distance) C4'-P energy: -13.705
bonds (distance) P-C4' energy: -17.995
flat angles C4'-P-C4' energy: -20.603
flat angles P-C4'-P energy: -17.630
tors. eta vs tors. theta energy: -8.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -255.543132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.543132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.543132 (E_RNA)
where:
Base-Base interactions energy: -171.416
where: short stacking energy: -60.740
Base-Backbone interact. energy: -0.840
local terms energy: -83.287727
where:
bonds (distance) C4'-P energy: -15.789
bonds (distance) P-C4' energy: -21.014
flat angles C4'-P-C4' energy: -19.470
flat angles P-C4'-P energy: -11.329
tors. eta vs tors. theta energy: -15.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -130.630921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.630921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.630921 (E_RNA)
where:
Base-Base interactions energy: -66.619
where: short stacking energy: -45.606
Base-Backbone interact. energy: -0.308
local terms energy: -63.703633
where:
bonds (distance) C4'-P energy: -16.109
bonds (distance) P-C4' energy: -20.883
flat angles C4'-P-C4' energy: -9.694
flat angles P-C4'-P energy: -15.072
tors. eta vs tors. theta energy: -1.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -100.497562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.497562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.497562 (E_RNA)
where:
Base-Base interactions energy: -33.104
where: short stacking energy: -32.725
Base-Backbone interact. energy: 0.513
local terms energy: -67.906710
where:
bonds (distance) C4'-P energy: -18.872
bonds (distance) P-C4' energy: -19.822
flat angles C4'-P-C4' energy: -17.196
flat angles P-C4'-P energy: -9.014
tors. eta vs tors. theta energy: -3.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -101.018068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.018068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.018068 (E_RNA)
where:
Base-Base interactions energy: -32.468
where: short stacking energy: -27.514
Base-Backbone interact. energy: -0.170
local terms energy: -68.379597
where:
bonds (distance) C4'-P energy: -18.588
bonds (distance) P-C4' energy: -12.807
flat angles C4'-P-C4' energy: -17.598
flat angles P-C4'-P energy: -8.878
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: 1, replica: 7
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -332.439483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.439483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.439483 (E_RNA)
where:
Base-Base interactions energy: -217.989
where: short stacking energy: -91.933
Base-Backbone interact. energy: -0.286
local terms energy: -114.163580
where:
bonds (distance) C4'-P energy: -22.278
bonds (distance) P-C4' energy: -22.417
flat angles C4'-P-C4' energy: -23.009
flat angles P-C4'-P energy: -18.052
tors. eta vs tors. theta energy: -28.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -317.430738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.430738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.430738 (E_RNA)
where:
Base-Base interactions energy: -221.916
where: short stacking energy: -95.072
Base-Backbone interact. energy: -0.194
local terms energy: -95.320994
where:
bonds (distance) C4'-P energy: -16.517
bonds (distance) P-C4' energy: -18.091
flat angles C4'-P-C4' energy: -20.780
flat angles P-C4'-P energy: -14.899
tors. eta vs tors. theta energy: -25.034
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: 10
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -294.449607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.449607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.449607 (E_RNA)
where:
Base-Base interactions energy: -208.185
where: short stacking energy: -84.975
Base-Backbone interact. energy: -0.101
local terms energy: -86.163509
where:
bonds (distance) C4'-P energy: -20.223
bonds (distance) P-C4' energy: -17.256
flat angles C4'-P-C4' energy: -14.215
flat angles P-C4'-P energy: -10.122
tors. eta vs tors. theta energy: -24.348
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: 3
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -288.555168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.555168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.555168 (E_RNA)
where:
Base-Base interactions energy: -193.137
where: short stacking energy: -74.783
Base-Backbone interact. energy: -0.243
local terms energy: -95.175462
where:
bonds (distance) C4'-P energy: -22.575
bonds (distance) P-C4' energy: -22.415
flat angles C4'-P-C4' energy: -19.496
flat angles P-C4'-P energy: -13.006
tors. eta vs tors. theta energy: -17.683
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: 5, replica: 8
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -277.439188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.439188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.439188 (E_RNA)
where:
Base-Base interactions energy: -188.551
where: short stacking energy: -70.259
Base-Backbone interact. energy: -0.509
local terms energy: -88.378411
where:
bonds (distance) C4'-P energy: -18.601
bonds (distance) P-C4' energy: -19.375
flat angles C4'-P-C4' energy: -17.381
flat angles P-C4'-P energy: -15.431
tors. eta vs tors. theta energy: -17.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -189.725864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.725864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.725864 (E_RNA)
where:
Base-Base interactions energy: -108.849
where: short stacking energy: -59.495
Base-Backbone interact. energy: -0.261
local terms energy: -80.614942
where:
bonds (distance) C4'-P energy: -13.358
bonds (distance) P-C4' energy: -23.709
flat angles C4'-P-C4' energy: -16.551
flat angles P-C4'-P energy: -13.714
tors. eta vs tors. theta energy: -13.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -244.200394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.200394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.200394 (E_RNA)
where:
Base-Base interactions energy: -158.256
where: short stacking energy: -71.837
Base-Backbone interact. energy: -0.169
local terms energy: -85.775368
where:
bonds (distance) C4'-P energy: -10.331
bonds (distance) P-C4' energy: -18.101
flat angles C4'-P-C4' energy: -23.759
flat angles P-C4'-P energy: -15.378
tors. eta vs tors. theta energy: -18.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -118.785452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.785452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.785452 (E_RNA)
where:
Base-Base interactions energy: -47.219
where: short stacking energy: -43.388
Base-Backbone interact. energy: 0.026
local terms energy: -71.592230
where:
bonds (distance) C4'-P energy: -18.351
bonds (distance) P-C4' energy: -17.554
flat angles C4'-P-C4' energy: -20.436
flat angles P-C4'-P energy: -6.540
tors. eta vs tors. theta energy: -8.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -107.717041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.717041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.717041 (E_RNA)
where:
Base-Base interactions energy: -50.567
where: short stacking energy: -34.760
Base-Backbone interact. energy: 1.927
local terms energy: -59.077572
where:
bonds (distance) C4'-P energy: -14.664
bonds (distance) P-C4' energy: -18.642
flat angles C4'-P-C4' energy: -14.918
flat angles P-C4'-P energy: -9.907
tors. eta vs tors. theta energy: -0.946
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: 10, replica: 9
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -98.816411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.816411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.816411 (E_RNA)
where:
Base-Base interactions energy: -47.728
where: short stacking energy: -32.035
Base-Backbone interact. energy: 1.256
local terms energy: -52.344682
where:
bonds (distance) C4'-P energy: -16.299
bonds (distance) P-C4' energy: -18.735
flat angles C4'-P-C4' energy: -9.876
flat angles P-C4'-P energy: -9.648
tors. eta vs tors. theta energy: 2.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -324.663028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.663028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.663028 (E_RNA)
where:
Base-Base interactions energy: -221.879
where: short stacking energy: -93.832
Base-Backbone interact. energy: -0.032
local terms energy: -102.752662
where:
bonds (distance) C4'-P energy: -18.255
bonds (distance) P-C4' energy: -22.109
flat angles C4'-P-C4' energy: -23.556
flat angles P-C4'-P energy: -13.085
tors. eta vs tors. theta energy: -25.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -307.320750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.320750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.320750 (E_RNA)
where:
Base-Base interactions energy: -216.707
where: short stacking energy: -90.427
Base-Backbone interact. energy: -0.607
local terms energy: -90.006516
where:
bonds (distance) C4'-P energy: -9.887
bonds (distance) P-C4' energy: -22.730
flat angles C4'-P-C4' energy: -20.633
flat angles P-C4'-P energy: -13.005
tors. eta vs tors. theta energy: -23.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -316.141457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.141457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.141457 (E_RNA)
where:
Base-Base interactions energy: -214.828
where: short stacking energy: -92.800
Base-Backbone interact. energy: -0.111
local terms energy: -101.202939
where:
bonds (distance) C4'-P energy: -20.712
bonds (distance) P-C4' energy: -22.081
flat angles C4'-P-C4' energy: -18.570
flat angles P-C4'-P energy: -11.312
tors. eta vs tors. theta energy: -28.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -275.003369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.003369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.003369 (E_RNA)
where:
Base-Base interactions energy: -182.001
where: short stacking energy: -67.554
Base-Backbone interact. energy: -0.436
local terms energy: -92.566212
where:
bonds (distance) C4'-P energy: -22.038
bonds (distance) P-C4' energy: -19.535
flat angles C4'-P-C4' energy: -22.710
flat angles P-C4'-P energy: -10.550
tors. eta vs tors. theta energy: -17.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -281.503152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.503152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.503152 (E_RNA)
where:
Base-Base interactions energy: -187.250
where: short stacking energy: -82.412
Base-Backbone interact. energy: -0.032
local terms energy: -94.221823
where:
bonds (distance) C4'-P energy: -14.337
bonds (distance) P-C4' energy: -20.827
flat angles C4'-P-C4' energy: -20.690
flat angles P-C4'-P energy: -12.697
tors. eta vs tors. theta energy: -25.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -260.154413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.154413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.154413 (E_RNA)
where:
Base-Base interactions energy: -179.578
where: short stacking energy: -66.897
Base-Backbone interact. energy: -0.552
local terms energy: -80.023729
where:
bonds (distance) C4'-P energy: -18.285
bonds (distance) P-C4' energy: -22.144
flat angles C4'-P-C4' energy: -15.827
flat angles P-C4'-P energy: -11.459
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: 7, replica: 6
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -183.357114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.357114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.357114 (E_RNA)
where:
Base-Base interactions energy: -113.677
where: short stacking energy: -72.090
Base-Backbone interact. energy: -0.353
local terms energy: -69.326827
where:
bonds (distance) C4'-P energy: -14.175
bonds (distance) P-C4' energy: -16.111
flat angles C4'-P-C4' energy: -16.252
flat angles P-C4'-P energy: -4.318
tors. eta vs tors. theta energy: -18.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -154.202122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.202122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.202122 (E_RNA)
where:
Base-Base interactions energy: -91.992
where: short stacking energy: -41.303
Base-Backbone interact. energy: 0.173
local terms energy: -62.383739
where:
bonds (distance) C4'-P energy: -12.448
bonds (distance) P-C4' energy: -14.822
flat angles C4'-P-C4' energy: -19.364
flat angles P-C4'-P energy: -10.685
tors. eta vs tors. theta energy: -5.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -103.783884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.783884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.783884 (E_RNA)
where:
Base-Base interactions energy: -37.279
where: short stacking energy: -27.163
Base-Backbone interact. energy: -0.150
local terms energy: -66.354207
where:
bonds (distance) C4'-P energy: -17.177
bonds (distance) P-C4' energy: -23.933
flat angles C4'-P-C4' energy: -12.156
flat angles P-C4'-P energy: -13.871
tors. eta vs tors. theta energy: 0.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -105.532111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.532111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.532111 (E_RNA)
where:
Base-Base interactions energy: -33.969
where: short stacking energy: -33.805
Base-Backbone interact. energy: -0.115
local terms energy: -71.447815
where:
bonds (distance) C4'-P energy: -16.961
bonds (distance) P-C4' energy: -21.232
flat angles C4'-P-C4' energy: -13.993
flat angles P-C4'-P energy: -15.440
tors. eta vs tors. theta energy: -3.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -326.510946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.510946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.510946 (E_RNA)
where:
Base-Base interactions energy: -224.305
where: short stacking energy: -99.498
Base-Backbone interact. energy: -0.180
local terms energy: -102.026191
where:
bonds (distance) C4'-P energy: -18.817
bonds (distance) P-C4' energy: -19.485
flat angles C4'-P-C4' energy: -22.085
flat angles P-C4'-P energy: -15.012
tors. eta vs tors. theta energy: -26.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -297.762362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.762362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.762362 (E_RNA)
where:
Base-Base interactions energy: -193.848
where: short stacking energy: -77.080
Base-Backbone interact. energy: 0.663
local terms energy: -104.577679
where:
bonds (distance) C4'-P energy: -20.195
bonds (distance) P-C4' energy: -23.528
flat angles C4'-P-C4' energy: -19.853
flat angles P-C4'-P energy: -15.331
tors. eta vs tors. theta energy: -25.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -322.251316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.251316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.251316 (E_RNA)
where:
Base-Base interactions energy: -220.166
where: short stacking energy: -98.032
Base-Backbone interact. energy: -0.583
local terms energy: -101.502338
where:
bonds (distance) C4'-P energy: -19.673
bonds (distance) P-C4' energy: -21.132
flat angles C4'-P-C4' energy: -21.138
flat angles P-C4'-P energy: -13.729
tors. eta vs tors. theta energy: -25.830
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: 8
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -279.947944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.947944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.947944 (E_RNA)
where:
Base-Base interactions energy: -176.676
where: short stacking energy: -84.666
Base-Backbone interact. energy: -1.977
local terms energy: -101.295279
where:
bonds (distance) C4'-P energy: -19.230
bonds (distance) P-C4' energy: -19.567
flat angles C4'-P-C4' energy: -21.713
flat angles P-C4'-P energy: -14.398
tors. eta vs tors. theta energy: -26.387
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: 212
Temperature: 1.100000
Total energy: -253.433713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.433713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.433713 (E_RNA)
where:
Base-Base interactions energy: -167.790
where: short stacking energy: -68.098
Base-Backbone interact. energy: -0.147
local terms energy: -85.496151
where:
bonds (distance) C4'-P energy: -19.582
bonds (distance) P-C4' energy: -20.061
flat angles C4'-P-C4' energy: -20.006
flat angles P-C4'-P energy: -11.547
tors. eta vs tors. theta energy: -14.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -270.728232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.728232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.728232 (E_RNA)
where:
Base-Base interactions energy: -196.030
where: short stacking energy: -75.640
Base-Backbone interact. energy: -0.263
local terms energy: -74.436038
where:
bonds (distance) C4'-P energy: -15.516
bonds (distance) P-C4' energy: -18.552
flat angles C4'-P-C4' energy: -16.041
flat angles P-C4'-P energy: -3.678
tors. eta vs tors. theta energy: -20.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -167.465909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.465909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.465909 (E_RNA)
where:
Base-Base interactions energy: -91.322
where: short stacking energy: -53.903
Base-Backbone interact. energy: -0.127
local terms energy: -76.016841
where:
bonds (distance) C4'-P energy: -16.076
bonds (distance) P-C4' energy: -22.551
flat angles C4'-P-C4' energy: -19.739
flat angles P-C4'-P energy: -8.382
tors. eta vs tors. theta energy: -9.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -148.646631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.646631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.646631 (E_RNA)
where:
Base-Base interactions energy: -77.789
where: short stacking energy: -45.641
Base-Backbone interact. energy: -0.317
local terms energy: -70.540219
where:
bonds (distance) C4'-P energy: -21.064
bonds (distance) P-C4' energy: -12.388
flat angles C4'-P-C4' energy: -22.087
flat angles P-C4'-P energy: -9.482
tors. eta vs tors. theta energy: -5.519
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: 9
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -102.488484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.488484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.488484 (E_RNA)
where:
Base-Base interactions energy: -33.918
where: short stacking energy: -33.918
Base-Backbone interact. energy: -0.125
local terms energy: -68.445748
where:
bonds (distance) C4'-P energy: -20.385
bonds (distance) P-C4' energy: -17.445
flat angles C4'-P-C4' energy: -15.198
flat angles P-C4'-P energy: -13.895
tors. eta vs tors. theta energy: -1.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -89.731115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.731115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.731115 (E_RNA)
where:
Base-Base interactions energy: -30.681
where: short stacking energy: -33.032
Base-Backbone interact. energy: 1.304
local terms energy: -60.354048
where:
bonds (distance) C4'-P energy: -15.993
bonds (distance) P-C4' energy: -17.613
flat angles C4'-P-C4' energy: -14.790
flat angles P-C4'-P energy: -8.736
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: 1, replica: 7
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -334.596818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.596818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.596818 (E_RNA)
where:
Base-Base interactions energy: -236.164
where: short stacking energy: -107.788
Base-Backbone interact. energy: -0.078
local terms energy: -98.354852
where:
bonds (distance) C4'-P energy: -16.346
bonds (distance) P-C4' energy: -17.050
flat angles C4'-P-C4' energy: -24.088
flat angles P-C4'-P energy: -14.866
tors. eta vs tors. theta energy: -26.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -327.456053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.456053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.456053 (E_RNA)
where:
Base-Base interactions energy: -219.359
where: short stacking energy: -97.611
Base-Backbone interact. energy: -0.744
local terms energy: -107.353493
where:
bonds (distance) C4'-P energy: -22.989
bonds (distance) P-C4' energy: -20.756
flat angles C4'-P-C4' energy: -20.071
flat angles P-C4'-P energy: -15.204
tors. eta vs tors. theta energy: -28.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -303.865942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.865942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.865942 (E_RNA)
where:
Base-Base interactions energy: -208.191
where: short stacking energy: -84.838
Base-Backbone interact. energy: -0.105
local terms energy: -95.569921
where:
bonds (distance) C4'-P energy: -22.624
bonds (distance) P-C4' energy: -20.429
flat angles C4'-P-C4' energy: -19.559
flat angles P-C4'-P energy: -7.502
tors. eta vs tors. theta energy: -25.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -293.479716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.479716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.479716 (E_RNA)
where:
Base-Base interactions energy: -208.949
where: short stacking energy: -77.536
Base-Backbone interact. energy: -0.118
local terms energy: -84.412056
where:
bonds (distance) C4'-P energy: -15.864
bonds (distance) P-C4' energy: -18.972
flat angles C4'-P-C4' energy: -23.343
flat angles P-C4'-P energy: -7.214
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: 5, replica: 8
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -272.957932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.957932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.957932 (E_RNA)
where:
Base-Base interactions energy: -189.991
where: short stacking energy: -79.332
Base-Backbone interact. energy: -1.066
local terms energy: -81.900840
where:
bonds (distance) C4'-P energy: -15.571
bonds (distance) P-C4' energy: -17.806
flat angles C4'-P-C4' energy: -19.254
flat angles P-C4'-P energy: -7.205
tors. eta vs tors. theta energy: -22.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -277.200466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.200466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.200466 (E_RNA)
where:
Base-Base interactions energy: -204.329
where: short stacking energy: -71.488
Base-Backbone interact. energy: -0.943
local terms energy: -71.927834
where:
bonds (distance) C4'-P energy: -19.871
bonds (distance) P-C4' energy: -20.619
flat angles C4'-P-C4' energy: -13.490
flat angles P-C4'-P energy: -0.138
tors. eta vs tors. theta energy: -17.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -191.029975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.029975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.029975 (E_RNA)
where:
Base-Base interactions energy: -103.108
where: short stacking energy: -55.387
Base-Backbone interact. energy: 0.077
local terms energy: -87.999184
where:
bonds (distance) C4'-P energy: -16.991
bonds (distance) P-C4' energy: -20.625
flat angles C4'-P-C4' energy: -23.504
flat angles P-C4'-P energy: -13.953
tors. eta vs tors. theta energy: -12.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -115.646166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.646166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.646166 (E_RNA)
where:
Base-Base interactions energy: -43.441
where: short stacking energy: -42.214
Base-Backbone interact. energy: -0.022
local terms energy: -72.182690
where:
bonds (distance) C4'-P energy: -17.856
bonds (distance) P-C4' energy: -19.742
flat angles C4'-P-C4' energy: -18.542
flat angles P-C4'-P energy: -13.161
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: 1
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -114.869130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.869130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.869130 (E_RNA)
where:
Base-Base interactions energy: -42.590
where: short stacking energy: -35.739
Base-Backbone interact. energy: -0.085
local terms energy: -72.194469
where:
bonds (distance) C4'-P energy: -17.686
bonds (distance) P-C4' energy: -20.204
flat angles C4'-P-C4' energy: -20.646
flat angles P-C4'-P energy: -11.401
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: 10, replica: 4
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -118.266368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.266368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.266368 (E_RNA)
where:
Base-Base interactions energy: -63.436
where: short stacking energy: -36.367
Base-Backbone interact. energy: 0.827
local terms energy: -55.657394
where:
bonds (distance) C4'-P energy: -14.804
bonds (distance) P-C4' energy: -15.263
flat angles C4'-P-C4' energy: -8.567
flat angles P-C4'-P energy: -8.105
tors. eta vs tors. theta energy: -8.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -329.753310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.753310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.753310 (E_RNA)
where:
Base-Base interactions energy: -224.083
where: short stacking energy: -103.184
Base-Backbone interact. energy: -0.125
local terms energy: -105.545018
where:
bonds (distance) C4'-P energy: -20.368
bonds (distance) P-C4' energy: -19.772
flat angles C4'-P-C4' energy: -21.800
flat angles P-C4'-P energy: -15.448
tors. eta vs tors. theta energy: -28.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -321.482783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.482783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.482783 (E_RNA)
where:
Base-Base interactions energy: -222.612
where: short stacking energy: -97.852
Base-Backbone interact. energy: -0.470
local terms energy: -98.400085
where:
bonds (distance) C4'-P energy: -14.253
bonds (distance) P-C4' energy: -19.188
flat angles C4'-P-C4' energy: -19.030
flat angles P-C4'-P energy: -17.702
tors. eta vs tors. theta energy: -28.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -306.965933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.965933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.965933 (E_RNA)
where:
Base-Base interactions energy: -209.468
where: short stacking energy: -79.328
Base-Backbone interact. energy: -0.246
local terms energy: -97.251395
where:
bonds (distance) C4'-P energy: -22.786
bonds (distance) P-C4' energy: -22.084
flat angles C4'-P-C4' energy: -20.503
flat angles P-C4'-P energy: -10.397
tors. eta vs tors. theta energy: -21.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -288.280300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.280300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.280300 (E_RNA)
where:
Base-Base interactions energy: -192.860
where: short stacking energy: -85.756
Base-Backbone interact. energy: -0.050
local terms energy: -95.370767
where:
bonds (distance) C4'-P energy: -16.891
bonds (distance) P-C4' energy: -21.190
flat angles C4'-P-C4' energy: -21.436
flat angles P-C4'-P energy: -13.347
tors. eta vs tors. theta energy: -22.506
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: 3
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -270.123953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.123953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.123953 (E_RNA)
where:
Base-Base interactions energy: -189.027
where: short stacking energy: -72.877
Base-Backbone interact. energy: -0.044
local terms energy: -81.053193
where:
bonds (distance) C4'-P energy: -12.076
bonds (distance) P-C4' energy: -21.059
flat angles C4'-P-C4' energy: -16.955
flat angles P-C4'-P energy: -9.346
tors. eta vs tors. theta energy: -21.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -267.623673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.623673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.623673 (E_RNA)
where:
Base-Base interactions energy: -180.468
where: short stacking energy: -76.376
Base-Backbone interact. energy: -0.973
local terms energy: -86.183122
where:
bonds (distance) C4'-P energy: -16.204
bonds (distance) P-C4' energy: -16.865
flat angles C4'-P-C4' energy: -21.143
flat angles P-C4'-P energy: -11.745
tors. eta vs tors. theta energy: -20.226
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: 6
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -182.161172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.161172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.161172 (E_RNA)
where:
Base-Base interactions energy: -102.329
where: short stacking energy: -72.675
Base-Backbone interact. energy: 0.015
local terms energy: -79.847853
where:
bonds (distance) C4'-P energy: -13.036
bonds (distance) P-C4' energy: -19.090
flat angles C4'-P-C4' energy: -17.625
flat angles P-C4'-P energy: -13.354
tors. eta vs tors. theta energy: -16.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -132.524652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.524652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.524652 (E_RNA)
where:
Base-Base interactions energy: -72.469
where: short stacking energy: -38.140
Base-Backbone interact. energy: 1.946
local terms energy: -62.002136
where:
bonds (distance) C4'-P energy: -18.495
bonds (distance) P-C4' energy: -18.307
flat angles C4'-P-C4' energy: -13.820
flat angles P-C4'-P energy: -6.456
tors. eta vs tors. theta energy: -4.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -117.030165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.030165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.030165 (E_RNA)
where:
Base-Base interactions energy: -57.460
where: short stacking energy: -45.440
Base-Backbone interact. energy: 0.717
local terms energy: -60.287207
where:
bonds (distance) C4'-P energy: -8.401
bonds (distance) P-C4' energy: -19.134
flat angles C4'-P-C4' energy: -16.137
flat angles P-C4'-P energy: -6.677
tors. eta vs tors. theta energy: -9.937
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: 1
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -109.496920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.496920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.496920 (E_RNA)
where:
Base-Base interactions energy: -49.635
where: short stacking energy: -36.845
Base-Backbone interact. energy: -0.268
local terms energy: -59.593524
where:
bonds (distance) C4'-P energy: -12.128
bonds (distance) P-C4' energy: -12.117
flat angles C4'-P-C4' energy: -21.238
flat angles P-C4'-P energy: -12.069
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: 2
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -319.213352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.213352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.213352 (E_RNA)
where:
Base-Base interactions energy: -215.453
where: short stacking energy: -88.499
Base-Backbone interact. energy: -0.308
local terms energy: -103.452372
where:
bonds (distance) C4'-P energy: -19.210
bonds (distance) P-C4' energy: -20.665
flat angles C4'-P-C4' energy: -21.718
flat angles P-C4'-P energy: -15.033
tors. eta vs tors. theta energy: -26.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -323.649292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.649292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.649292 (E_RNA)
where:
Base-Base interactions energy: -227.365
where: short stacking energy: -101.563
Base-Backbone interact. energy: -0.837
local terms energy: -95.447085
where:
bonds (distance) C4'-P energy: -19.912
bonds (distance) P-C4' energy: -19.175
flat angles C4'-P-C4' energy: -17.918
flat angles P-C4'-P energy: -11.793
tors. eta vs tors. theta energy: -26.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -297.292253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.292253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.292253 (E_RNA)
where:
Base-Base interactions energy: -214.235
where: short stacking energy: -87.601
Base-Backbone interact. energy: -1.620
local terms energy: -81.436494
where:
bonds (distance) C4'-P energy: -14.854
bonds (distance) P-C4' energy: -18.896
flat angles C4'-P-C4' energy: -20.917
flat angles P-C4'-P energy: -3.665
tors. eta vs tors. theta energy: -23.104
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: 3
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -286.838360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.838360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.838360 (E_RNA)
where:
Base-Base interactions energy: -201.577
where: short stacking energy: -80.662
Base-Backbone interact. energy: -0.015
local terms energy: -85.246899
where:
bonds (distance) C4'-P energy: -19.202
bonds (distance) P-C4' energy: -20.750
flat angles C4'-P-C4' energy: -13.662
flat angles P-C4'-P energy: -8.900
tors. eta vs tors. theta energy: -22.733
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: 10
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -274.865634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.865634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.865634 (E_RNA)
where:
Base-Base interactions energy: -190.875
where: short stacking energy: -70.805
Base-Backbone interact. energy: -0.414
local terms energy: -83.576564
where:
bonds (distance) C4'-P energy: -22.965
bonds (distance) P-C4' energy: -14.583
flat angles C4'-P-C4' energy: -18.877
flat angles P-C4'-P energy: -6.822
tors. eta vs tors. theta energy: -20.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -175.701329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.701329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.701329 (E_RNA)
where:
Base-Base interactions energy: -91.544
where: short stacking energy: -52.223
Base-Backbone interact. energy: -0.214
local terms energy: -83.943512
where:
bonds (distance) C4'-P energy: -18.464
bonds (distance) P-C4' energy: -23.960
flat angles C4'-P-C4' energy: -18.630
flat angles P-C4'-P energy: -13.467
tors. eta vs tors. theta energy: -9.422
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: 8
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -281.306244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.306244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.306244 (E_RNA)
where:
Base-Base interactions energy: -191.107
where: short stacking energy: -86.592
Base-Backbone interact. energy: -0.551
local terms energy: -89.648954
where:
bonds (distance) C4'-P energy: -12.502
bonds (distance) P-C4' energy: -19.054
flat angles C4'-P-C4' energy: -22.037
flat angles P-C4'-P energy: -10.891
tors. eta vs tors. theta energy: -25.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -125.326008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.326008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.326008 (E_RNA)
where:
Base-Base interactions energy: -58.513
where: short stacking energy: -45.757
Base-Backbone interact. energy: 1.907
local terms energy: -68.720092
where:
bonds (distance) C4'-P energy: -18.671
bonds (distance) P-C4' energy: -17.038
flat angles C4'-P-C4' energy: -14.637
flat angles P-C4'-P energy: -12.057
tors. eta vs tors. theta energy: -6.317
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: 9
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -119.049600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.049600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.049600 (E_RNA)
where:
Base-Base interactions energy: -58.433
where: short stacking energy: -27.590
Base-Backbone interact. energy: -0.661
local terms energy: -59.955251
where:
bonds (distance) C4'-P energy: -19.246
bonds (distance) P-C4' energy: -11.530
flat angles C4'-P-C4' energy: -17.291
flat angles P-C4'-P energy: -9.030
tors. eta vs tors. theta energy: -2.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -119.157554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.157554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.157554 (E_RNA)
where:
Base-Base interactions energy: -58.125
where: short stacking energy: -26.865
Base-Backbone interact. energy: -0.273
local terms energy: -60.759161
where:
bonds (distance) C4'-P energy: -19.201
bonds (distance) P-C4' energy: -19.942
flat angles C4'-P-C4' energy: -18.681
flat angles P-C4'-P energy: -8.005
tors. eta vs tors. theta energy: 5.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -330.931031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.931031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.931031 (E_RNA)
where:
Base-Base interactions energy: -225.662
where: short stacking energy: -97.410
Base-Backbone interact. energy: -0.104
local terms energy: -105.165158
where:
bonds (distance) C4'-P energy: -20.728
bonds (distance) P-C4' energy: -20.858
flat angles C4'-P-C4' energy: -23.326
flat angles P-C4'-P energy: -13.022
tors. eta vs tors. theta energy: -27.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -314.305006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.305006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.305006 (E_RNA)
where:
Base-Base interactions energy: -211.617
where: short stacking energy: -87.870
Base-Backbone interact. energy: 1.042
local terms energy: -103.729603
where:
bonds (distance) C4'-P energy: -22.562
bonds (distance) P-C4' energy: -21.079
flat angles C4'-P-C4' energy: -16.513
flat angles P-C4'-P energy: -18.841
tors. eta vs tors. theta energy: -24.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -303.865152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.865152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.865152 (E_RNA)
where:
Base-Base interactions energy: -205.782
where: short stacking energy: -82.310
Base-Backbone interact. energy: -0.118
local terms energy: -97.964758
where:
bonds (distance) C4'-P energy: -22.414
bonds (distance) P-C4' energy: -22.924
flat angles C4'-P-C4' energy: -17.387
flat angles P-C4'-P energy: -9.753
tors. eta vs tors. theta energy: -25.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -292.027219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.027219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.027219 (E_RNA)
where:
Base-Base interactions energy: -202.241
where: short stacking energy: -74.945
Base-Backbone interact. energy: -0.203
local terms energy: -89.583178
where:
bonds (distance) C4'-P energy: -19.988
bonds (distance) P-C4' energy: -16.476
flat angles C4'-P-C4' energy: -14.719
flat angles P-C4'-P energy: -11.932
tors. eta vs tors. theta energy: -26.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -268.479128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.479128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.479128 (E_RNA)
where:
Base-Base interactions energy: -187.489
where: short stacking energy: -67.889
Base-Backbone interact. energy: -0.076
local terms energy: -80.914407
where:
bonds (distance) C4'-P energy: -18.654
bonds (distance) P-C4' energy: -18.879
flat angles C4'-P-C4' energy: -19.048
flat angles P-C4'-P energy: -3.512
tors. eta vs tors. theta energy: -20.821
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: 6, replica: 6
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -186.158502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.158502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.158502 (E_RNA)
where:
Base-Base interactions energy: -106.715
where: short stacking energy: -62.080
Base-Backbone interact. energy: -0.456
local terms energy: -78.987466
where:
bonds (distance) C4'-P energy: -16.308
bonds (distance) P-C4' energy: -20.795
flat angles C4'-P-C4' energy: -21.325
flat angles P-C4'-P energy: -8.965
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: 7, replica: 8
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -258.867108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.867108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.867108 (E_RNA)
where:
Base-Base interactions energy: -180.034
where: short stacking energy: -78.387
Base-Backbone interact. energy: -0.498
local terms energy: -78.335152
where:
bonds (distance) C4'-P energy: -16.969
bonds (distance) P-C4' energy: -17.743
flat angles C4'-P-C4' energy: -14.182
flat angles P-C4'-P energy: -8.751
tors. eta vs tors. theta energy: -20.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -109.068330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.068330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.068330 (E_RNA)
where:
Base-Base interactions energy: -41.992
where: short stacking energy: -26.487
Base-Backbone interact. energy: -0.811
local terms energy: -66.265569
where:
bonds (distance) C4'-P energy: -17.267
bonds (distance) P-C4' energy: -19.477
flat angles C4'-P-C4' energy: -16.822
flat angles P-C4'-P energy: -11.240
tors. eta vs tors. theta energy: -1.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -112.159047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.159047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.159047 (E_RNA)
where:
Base-Base interactions energy: -40.155
where: short stacking energy: -40.555
Base-Backbone interact. energy: -0.154
local terms energy: -71.850081
where:
bonds (distance) C4'-P energy: -20.406
bonds (distance) P-C4' energy: -18.906
flat angles C4'-P-C4' energy: -17.464
flat angles P-C4'-P energy: -8.294
tors. eta vs tors. theta energy: -6.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -123.991896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.991896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.991896 (E_RNA)
where:
Base-Base interactions energy: -66.787
where: short stacking energy: -35.042
Base-Backbone interact. energy: -0.261
local terms energy: -56.943792
where:
bonds (distance) C4'-P energy: -17.239
bonds (distance) P-C4' energy: -17.241
flat angles C4'-P-C4' energy: -11.739
flat angles P-C4'-P energy: -11.000
tors. eta vs tors. theta energy: 0.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -326.550110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.550110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.550110 (E_RNA)
where:
Base-Base interactions energy: -218.586
where: short stacking energy: -96.429
Base-Backbone interact. energy: -0.100
local terms energy: -107.864222
where:
bonds (distance) C4'-P energy: -21.549
bonds (distance) P-C4' energy: -19.855
flat angles C4'-P-C4' energy: -24.177
flat angles P-C4'-P energy: -11.402
tors. eta vs tors. theta energy: -30.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -318.117634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.117634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.117634 (E_RNA)
where:
Base-Base interactions energy: -220.538
where: short stacking energy: -93.809
Base-Backbone interact. energy: -0.790
local terms energy: -96.789506
where:
bonds (distance) C4'-P energy: -21.428
bonds (distance) P-C4' energy: -21.923
flat angles C4'-P-C4' energy: -15.415
flat angles P-C4'-P energy: -11.604
tors. eta vs tors. theta energy: -26.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -298.324720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.324720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.324720 (E_RNA)
where:
Base-Base interactions energy: -211.558
where: short stacking energy: -84.997
Base-Backbone interact. energy: -0.272
local terms energy: -86.494903
where:
bonds (distance) C4'-P energy: -18.759
bonds (distance) P-C4' energy: -19.639
flat angles C4'-P-C4' energy: -20.043
flat angles P-C4'-P energy: -11.297
tors. eta vs tors. theta energy: -16.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -273.943912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.943912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.943912 (E_RNA)
where:
Base-Base interactions energy: -192.874
where: short stacking energy: -69.485
Base-Backbone interact. energy: -0.223
local terms energy: -80.847071
where:
bonds (distance) C4'-P energy: -17.213
bonds (distance) P-C4' energy: -18.167
flat angles C4'-P-C4' energy: -16.039
flat angles P-C4'-P energy: -12.424
tors. eta vs tors. theta energy: -17.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -279.559133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.559133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.559133 (E_RNA)
where:
Base-Base interactions energy: -191.780
where: short stacking energy: -84.197
Base-Backbone interact. energy: -0.071
local terms energy: -87.708644
where:
bonds (distance) C4'-P energy: -16.252
bonds (distance) P-C4' energy: -18.342
flat angles C4'-P-C4' energy: -22.066
flat angles P-C4'-P energy: -9.631
tors. eta vs tors. theta energy: -21.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -260.443050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.443050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.443050 (E_RNA)
where:
Base-Base interactions energy: -174.117
where: short stacking energy: -76.668
Base-Backbone interact. energy: -0.790
local terms energy: -85.536055
where:
bonds (distance) C4'-P energy: -8.578
bonds (distance) P-C4' energy: -18.331
flat angles C4'-P-C4' energy: -19.525
flat angles P-C4'-P energy: -20.181
tors. eta vs tors. theta energy: -18.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -170.783729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.783729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.783729 (E_RNA)
where:
Base-Base interactions energy: -105.529
where: short stacking energy: -55.127
Base-Backbone interact. energy: -0.530
local terms energy: -64.724366
where:
bonds (distance) C4'-P energy: -15.756
bonds (distance) P-C4' energy: -16.318
flat angles C4'-P-C4' energy: -11.380
flat angles P-C4'-P energy: -8.693
tors. eta vs tors. theta energy: -12.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -114.741183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.741183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.741183 (E_RNA)
where:
Base-Base interactions energy: -47.827
where: short stacking energy: -48.427
Base-Backbone interact. energy: -0.112
local terms energy: -66.801994
where:
bonds (distance) C4'-P energy: -16.975
bonds (distance) P-C4' energy: -16.960
flat angles C4'-P-C4' energy: -15.185
flat angles P-C4'-P energy: -11.912
tors. eta vs tors. theta energy: -5.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -108.726683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.726683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.726683 (E_RNA)
where:
Base-Base interactions energy: -39.741
where: short stacking energy: -36.768
Base-Backbone interact. energy: -0.183
local terms energy: -68.802647
where:
bonds (distance) C4'-P energy: -19.549
bonds (distance) P-C4' energy: -17.486
flat angles C4'-P-C4' energy: -14.754
flat angles P-C4'-P energy: -11.297
tors. eta vs tors. theta energy: -5.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -102.615363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.615363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.615363 (E_RNA)
where:
Base-Base interactions energy: -40.550
where: short stacking energy: -36.307
Base-Backbone interact. energy: -0.258
local terms energy: -61.807175
where:
bonds (distance) C4'-P energy: -12.270
bonds (distance) P-C4' energy: -17.710
flat angles C4'-P-C4' energy: -21.697
flat angles P-C4'-P energy: -9.772
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: 2
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -337.732702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.732702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.732702 (E_RNA)
where:
Base-Base interactions energy: -226.837
where: short stacking energy: -101.244
Base-Backbone interact. energy: -0.128
local terms energy: -110.767647
where:
bonds (distance) C4'-P energy: -21.976
bonds (distance) P-C4' energy: -20.388
flat angles C4'-P-C4' energy: -21.579
flat angles P-C4'-P energy: -17.779
tors. eta vs tors. theta energy: -29.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -335.890449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.890449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.890449 (E_RNA)
where:
Base-Base interactions energy: -222.886
where: short stacking energy: -103.662
Base-Backbone interact. energy: -0.141
local terms energy: -112.863339
where:
bonds (distance) C4'-P energy: -21.021
bonds (distance) P-C4' energy: -23.272
flat angles C4'-P-C4' energy: -22.353
flat angles P-C4'-P energy: -19.037
tors. eta vs tors. theta energy: -27.181
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: 3, replica: 5
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -303.309204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.309204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.309204 (E_RNA)
where:
Base-Base interactions energy: -214.253
where: short stacking energy: -90.418
Base-Backbone interact. energy: -0.048
local terms energy: -89.008099
where:
bonds (distance) C4'-P energy: -15.549
bonds (distance) P-C4' energy: -20.223
flat angles C4'-P-C4' energy: -18.874
flat angles P-C4'-P energy: -10.452
tors. eta vs tors. theta energy: -23.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -273.580566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.580566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.580566 (E_RNA)
where:
Base-Base interactions energy: -184.818
where: short stacking energy: -75.509
Base-Backbone interact. energy: 0.384
local terms energy: -89.146602
where:
bonds (distance) C4'-P energy: -16.800
bonds (distance) P-C4' energy: -19.636
flat angles C4'-P-C4' energy: -19.372
flat angles P-C4'-P energy: -14.157
tors. eta vs tors. theta energy: -19.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -275.932761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.932761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.932761 (E_RNA)
where:
Base-Base interactions energy: -181.594
where: short stacking energy: -74.256
Base-Backbone interact. energy: -0.838
local terms energy: -93.500697
where:
bonds (distance) C4'-P energy: -20.245
bonds (distance) P-C4' energy: -20.936
flat angles C4'-P-C4' energy: -22.481
flat angles P-C4'-P energy: -11.308
tors. eta vs tors. theta energy: -18.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -264.244265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.244265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.244265 (E_RNA)
where:
Base-Base interactions energy: -166.426
where: short stacking energy: -80.410
Base-Backbone interact. energy: -0.844
local terms energy: -96.974249
where:
bonds (distance) C4'-P energy: -19.035
bonds (distance) P-C4' energy: -22.799
flat angles C4'-P-C4' energy: -21.077
flat angles P-C4'-P energy: -14.361
tors. eta vs tors. theta energy: -19.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -184.361324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.361324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.361324 (E_RNA)
where:
Base-Base interactions energy: -111.185
where: short stacking energy: -48.327
Base-Backbone interact. energy: 0.841
local terms energy: -74.017044
where:
bonds (distance) C4'-P energy: -19.830
bonds (distance) P-C4' energy: -18.330
flat angles C4'-P-C4' energy: -18.613
flat angles P-C4'-P energy: -8.845
tors. eta vs tors. theta energy: -8.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -121.075798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.075798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.075798 (E_RNA)
where:
Base-Base interactions energy: -44.636
where: short stacking energy: -41.836
Base-Backbone interact. energy: 1.753
local terms energy: -78.192825
where:
bonds (distance) C4'-P energy: -21.611
bonds (distance) P-C4' energy: -19.033
flat angles C4'-P-C4' energy: -14.755
flat angles P-C4'-P energy: -17.072
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: 9, replica: 1
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -103.583345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.583345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.583345 (E_RNA)
where:
Base-Base interactions energy: -41.289
where: short stacking energy: -32.699
Base-Backbone interact. energy: -0.261
local terms energy: -62.033847
where:
bonds (distance) C4'-P energy: -21.759
bonds (distance) P-C4' energy: -21.959
flat angles C4'-P-C4' energy: -16.909
flat angles P-C4'-P energy: -2.475
tors. eta vs tors. theta energy: 1.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -121.978082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.978082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.978082 (E_RNA)
where:
Base-Base interactions energy: -59.750
where: short stacking energy: -46.218
Base-Backbone interact. energy: -0.106
local terms energy: -62.122053
where:
bonds (distance) C4'-P energy: -15.669
bonds (distance) P-C4' energy: -17.584
flat angles C4'-P-C4' energy: -13.859
flat angles P-C4'-P energy: -10.023
tors. eta vs tors. theta energy: -4.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -334.758769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.758769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.758769 (E_RNA)
where:
Base-Base interactions energy: -224.297
where: short stacking energy: -101.700
Base-Backbone interact. energy: -0.647
local terms energy: -109.814520
where:
bonds (distance) C4'-P energy: -19.014
bonds (distance) P-C4' energy: -20.292
flat angles C4'-P-C4' energy: -23.024
flat angles P-C4'-P energy: -16.792
tors. eta vs tors. theta energy: -30.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -323.836027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.836027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.836027 (E_RNA)
where:
Base-Base interactions energy: -213.392
where: short stacking energy: -92.838
Base-Backbone interact. energy: -0.489
local terms energy: -109.955586
where:
bonds (distance) C4'-P energy: -20.152
bonds (distance) P-C4' energy: -20.739
flat angles C4'-P-C4' energy: -24.484
flat angles P-C4'-P energy: -19.142
tors. eta vs tors. theta energy: -25.438
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: 5
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -305.737302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.737302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.737302 (E_RNA)
where:
Base-Base interactions energy: -211.192
where: short stacking energy: -84.646
Base-Backbone interact. energy: -0.275
local terms energy: -94.269753
where:
bonds (distance) C4'-P energy: -17.203
bonds (distance) P-C4' energy: -24.585
flat angles C4'-P-C4' energy: -22.051
flat angles P-C4'-P energy: -12.587
tors. eta vs tors. theta energy: -17.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -290.061327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.061327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.061327 (E_RNA)
where:
Base-Base interactions energy: -194.291
where: short stacking energy: -83.102
Base-Backbone interact. energy: -0.379
local terms energy: -95.391371
where:
bonds (distance) C4'-P energy: -16.190
bonds (distance) P-C4' energy: -23.983
flat angles C4'-P-C4' energy: -20.771
flat angles P-C4'-P energy: -13.174
tors. eta vs tors. theta energy: -21.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -272.253087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.253087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.253087 (E_RNA)
where:
Base-Base interactions energy: -193.657
where: short stacking energy: -72.144
Base-Backbone interact. energy: -1.403
local terms energy: -77.192932
where:
bonds (distance) C4'-P energy: -14.073
bonds (distance) P-C4' energy: -20.542
flat angles C4'-P-C4' energy: -15.272
flat angles P-C4'-P energy: -10.793
tors. eta vs tors. theta energy: -16.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -266.226194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.226194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.226194 (E_RNA)
where:
Base-Base interactions energy: -172.268
where: short stacking energy: -72.085
Base-Backbone interact. energy: -0.423
local terms energy: -93.535025
where:
bonds (distance) C4'-P energy: -18.580
bonds (distance) P-C4' energy: -20.201
flat angles C4'-P-C4' energy: -22.856
flat angles P-C4'-P energy: -13.075
tors. eta vs tors. theta energy: -18.824
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: 219
Temperature: 1.200000
Total energy: -181.569738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.569738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.569738 (E_RNA)
where:
Base-Base interactions energy: -110.770
where: short stacking energy: -46.482
Base-Backbone interact. energy: -0.673
local terms energy: -70.126227
where:
bonds (distance) C4'-P energy: -16.108
bonds (distance) P-C4' energy: -18.831
flat angles C4'-P-C4' energy: -19.989
flat angles P-C4'-P energy: -9.730
tors. eta vs tors. theta energy: -5.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -133.398068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.398068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.398068 (E_RNA)
where:
Base-Base interactions energy: -55.626
where: short stacking energy: -42.794
Base-Backbone interact. energy: -0.329
local terms energy: -77.444025
where:
bonds (distance) C4'-P energy: -17.840
bonds (distance) P-C4' energy: -22.488
flat angles C4'-P-C4' energy: -13.788
flat angles P-C4'-P energy: -13.667
tors. eta vs tors. theta energy: -9.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -106.213811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.213811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.213811 (E_RNA)
where:
Base-Base interactions energy: -49.533
where: short stacking energy: -29.631
Base-Backbone interact. energy: -0.299
local terms energy: -56.381705
where:
bonds (distance) C4'-P energy: -15.893
bonds (distance) P-C4' energy: -18.031
flat angles C4'-P-C4' energy: -7.819
flat angles P-C4'-P energy: -14.711
tors. eta vs tors. theta energy: 0.072
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: 4
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -104.614572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.614572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.614572 (E_RNA)
where:
Base-Base interactions energy: -46.595
where: short stacking energy: -36.389
Base-Backbone interact. energy: -0.355
local terms energy: -57.664756
where:
bonds (distance) C4'-P energy: -19.068
bonds (distance) P-C4' energy: -14.877
flat angles C4'-P-C4' energy: -13.369
flat angles P-C4'-P energy: -10.974
tors. eta vs tors. theta energy: 0.623
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: 7
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -338.740497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.740497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.740497 (E_RNA)
where:
Base-Base interactions energy: -236.544
where: short stacking energy: -107.733
Base-Backbone interact. energy: -0.497
local terms energy: -101.699355
where:
bonds (distance) C4'-P energy: -20.300
bonds (distance) P-C4' energy: -18.361
flat angles C4'-P-C4' energy: -20.493
flat angles P-C4'-P energy: -15.206
tors. eta vs tors. theta energy: -27.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -334.932047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.932047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.932047 (E_RNA)
where:
Base-Base interactions energy: -230.048
where: short stacking energy: -101.247
Base-Backbone interact. energy: -0.116
local terms energy: -104.768005
where:
bonds (distance) C4'-P energy: -23.656
bonds (distance) P-C4' energy: -16.282
flat angles C4'-P-C4' energy: -19.250
flat angles P-C4'-P energy: -14.182
tors. eta vs tors. theta energy: -31.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -307.628037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.628037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.628037 (E_RNA)
where:
Base-Base interactions energy: -218.094
where: short stacking energy: -89.367
Base-Backbone interact. energy: -0.376
local terms energy: -89.158135
where:
bonds (distance) C4'-P energy: -16.025
bonds (distance) P-C4' energy: -21.709
flat angles C4'-P-C4' energy: -22.388
flat angles P-C4'-P energy: -7.631
tors. eta vs tors. theta energy: -21.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -282.173252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.173252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.173252 (E_RNA)
where:
Base-Base interactions energy: -192.404
where: short stacking energy: -82.271
Base-Backbone interact. energy: -0.582
local terms energy: -89.187605
where:
bonds (distance) C4'-P energy: -21.256
bonds (distance) P-C4' energy: -18.142
flat angles C4'-P-C4' energy: -19.451
flat angles P-C4'-P energy: -11.804
tors. eta vs tors. theta energy: -18.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -286.315821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.315821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.315821 (E_RNA)
where:
Base-Base interactions energy: -200.642
where: short stacking energy: -75.916
Base-Backbone interact. energy: 1.027
local terms energy: -86.700338
where:
bonds (distance) C4'-P energy: -17.867
bonds (distance) P-C4' energy: -15.999
flat angles C4'-P-C4' energy: -20.464
flat angles P-C4'-P energy: -8.843
tors. eta vs tors. theta energy: -23.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -292.134546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.134546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.134546 (E_RNA)
where:
Base-Base interactions energy: -202.803
where: short stacking energy: -85.823
Base-Backbone interact. energy: -0.184
local terms energy: -89.148269
where:
bonds (distance) C4'-P energy: -17.035
bonds (distance) P-C4' energy: -16.641
flat angles C4'-P-C4' energy: -23.748
flat angles P-C4'-P energy: -12.777
tors. eta vs tors. theta energy: -18.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -184.052577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.052577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.052577 (E_RNA)
where:
Base-Base interactions energy: -110.195
where: short stacking energy: -60.935
Base-Backbone interact. energy: -0.445
local terms energy: -73.412618
where:
bonds (distance) C4'-P energy: -16.685
bonds (distance) P-C4' energy: -21.605
flat angles C4'-P-C4' energy: -11.744
flat angles P-C4'-P energy: -9.015
tors. eta vs tors. theta energy: -14.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -109.281255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.281255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.281255 (E_RNA)
where:
Base-Base interactions energy: -44.803
where: short stacking energy: -33.136
Base-Backbone interact. energy: 2.578
local terms energy: -67.056363
where:
bonds (distance) C4'-P energy: -20.505
bonds (distance) P-C4' energy: -17.618
flat angles C4'-P-C4' energy: -17.642
flat angles P-C4'-P energy: -6.526
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: 9, replica: 4
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -105.350584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.350584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.350584 (E_RNA)
where:
Base-Base interactions energy: -35.635
where: short stacking energy: -34.473
Base-Backbone interact. energy: -0.129
local terms energy: -69.586436
where:
bonds (distance) C4'-P energy: -19.715
bonds (distance) P-C4' energy: -18.148
flat angles C4'-P-C4' energy: -15.409
flat angles P-C4'-P energy: -11.323
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: 10, replica: 9
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -109.154421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.154421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.154421 (E_RNA)
where:
Base-Base interactions energy: -50.821
where: short stacking energy: -46.641
Base-Backbone interact. energy: -0.333
local terms energy: -58.000189
where:
bonds (distance) C4'-P energy: -11.781
bonds (distance) P-C4' energy: -23.540
flat angles C4'-P-C4' energy: -7.141
flat angles P-C4'-P energy: -10.679
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: 7
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -318.427574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.427574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.427574 (E_RNA)
where:
Base-Base interactions energy: -223.859
where: short stacking energy: -101.130
Base-Backbone interact. energy: -0.101
local terms energy: -94.468282
where:
bonds (distance) C4'-P energy: -21.015
bonds (distance) P-C4' energy: -14.428
flat angles C4'-P-C4' energy: -21.055
flat angles P-C4'-P energy: -11.712
tors. eta vs tors. theta energy: -26.258
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: 5
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -308.670309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.670309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.670309 (E_RNA)
where:
Base-Base interactions energy: -211.690
where: short stacking energy: -87.724
Base-Backbone interact. energy: -0.896
local terms energy: -96.084432
where:
bonds (distance) C4'-P energy: -22.538
bonds (distance) P-C4' energy: -22.141
flat angles C4'-P-C4' energy: -18.331
flat angles P-C4'-P energy: -10.154
tors. eta vs tors. theta energy: -22.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -310.797011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.797011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.797011 (E_RNA)
where:
Base-Base interactions energy: -215.867
where: short stacking energy: -88.294
Base-Backbone interact. energy: -0.113
local terms energy: -94.817118
where:
bonds (distance) C4'-P energy: -20.202
bonds (distance) P-C4' energy: -19.798
flat angles C4'-P-C4' energy: -20.203
flat angles P-C4'-P energy: -12.436
tors. eta vs tors. theta energy: -22.178
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: 10
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -283.738202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.738202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.738202 (E_RNA)
where:
Base-Base interactions energy: -196.080
where: short stacking energy: -75.742
Base-Backbone interact. energy: -0.451
local terms energy: -87.207781
where:
bonds (distance) C4'-P energy: -18.250
bonds (distance) P-C4' energy: -21.794
flat angles C4'-P-C4' energy: -19.304
flat angles P-C4'-P energy: -5.990
tors. eta vs tors. theta energy: -21.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -278.306417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.306417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.306417 (E_RNA)
where:
Base-Base interactions energy: -193.418
where: short stacking energy: -71.444
Base-Backbone interact. energy: -0.125
local terms energy: -84.763307
where:
bonds (distance) C4'-P energy: -18.494
bonds (distance) P-C4' energy: -18.038
flat angles C4'-P-C4' energy: -18.133
flat angles P-C4'-P energy: -9.874
tors. eta vs tors. theta energy: -20.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -266.375787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.375787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.375787 (E_RNA)
where:
Base-Base interactions energy: -184.361
where: short stacking energy: -75.647
Base-Backbone interact. energy: -0.506
local terms energy: -81.508601
where:
bonds (distance) C4'-P energy: -17.976
bonds (distance) P-C4' energy: -18.207
flat angles C4'-P-C4' energy: -21.071
flat angles P-C4'-P energy: -8.195
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: 7, replica: 6
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -198.760481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.760481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.760481 (E_RNA)
where:
Base-Base interactions energy: -127.736
where: short stacking energy: -48.219
Base-Backbone interact. energy: -0.267
local terms energy: -70.757653
where:
bonds (distance) C4'-P energy: -17.531
bonds (distance) P-C4' energy: -16.788
flat angles C4'-P-C4' energy: -16.602
flat angles P-C4'-P energy: -8.990
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: 8, replica: 4
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -117.637564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.637564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.637564 (E_RNA)
where:
Base-Base interactions energy: -42.943
where: short stacking energy: -39.457
Base-Backbone interact. energy: -0.191
local terms energy: -74.503267
where:
bonds (distance) C4'-P energy: -19.760
bonds (distance) P-C4' energy: -17.208
flat angles C4'-P-C4' energy: -15.833
flat angles P-C4'-P energy: -9.571
tors. eta vs tors. theta energy: -12.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -102.264400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.264400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.264400 (E_RNA)
where:
Base-Base interactions energy: -35.009
where: short stacking energy: -28.063
Base-Backbone interact. energy: -0.188
local terms energy: -67.067134
where:
bonds (distance) C4'-P energy: -16.423
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -18.409
flat angles P-C4'-P energy: -12.801
tors. eta vs tors. theta energy: -3.046
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: 10, replica: 9
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -96.329732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.329732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.329732 (E_RNA)
where:
Base-Base interactions energy: -45.159
where: short stacking energy: -36.540
Base-Backbone interact. energy: 1.167
local terms energy: -52.337756
where:
bonds (distance) C4'-P energy: -15.209
bonds (distance) P-C4' energy: -20.622
flat angles C4'-P-C4' energy: -14.895
flat angles P-C4'-P energy: -3.634
tors. eta vs tors. theta energy: 2.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -330.381357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.381357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.381357 (E_RNA)
where:
Base-Base interactions energy: -227.743
where: short stacking energy: -105.531
Base-Backbone interact. energy: -0.194
local terms energy: -102.444117
where:
bonds (distance) C4'-P energy: -19.154
bonds (distance) P-C4' energy: -21.069
flat angles C4'-P-C4' energy: -21.822
flat angles P-C4'-P energy: -10.308
tors. eta vs tors. theta energy: -30.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -293.229258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.229258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.229258 (E_RNA)
where:
Base-Base interactions energy: -196.386
where: short stacking energy: -79.932
Base-Backbone interact. energy: -0.494
local terms energy: -96.349023
where:
bonds (distance) C4'-P energy: -18.539
bonds (distance) P-C4' energy: -20.989
flat angles C4'-P-C4' energy: -20.861
flat angles P-C4'-P energy: -13.615
tors. eta vs tors. theta energy: -22.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -316.410098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.410098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.410098 (E_RNA)
where:
Base-Base interactions energy: -223.593
where: short stacking energy: -90.532
Base-Backbone interact. energy: -0.417
local terms energy: -92.400461
where:
bonds (distance) C4'-P energy: -18.737
bonds (distance) P-C4' energy: -16.155
flat angles C4'-P-C4' energy: -19.982
flat angles P-C4'-P energy: -11.510
tors. eta vs tors. theta energy: -26.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -279.720955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.720955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.720955 (E_RNA)
where:
Base-Base interactions energy: -190.771
where: short stacking energy: -73.273
Base-Backbone interact. energy: 0.229
local terms energy: -89.178561
where:
bonds (distance) C4'-P energy: -20.455
bonds (distance) P-C4' energy: -19.048
flat angles C4'-P-C4' energy: -18.758
flat angles P-C4'-P energy: -14.703
tors. eta vs tors. theta energy: -16.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -273.817251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.817251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.817251 (E_RNA)
where:
Base-Base interactions energy: -189.023
where: short stacking energy: -76.837
Base-Backbone interact. energy: -0.155
local terms energy: -84.639511
where:
bonds (distance) C4'-P energy: -15.256
bonds (distance) P-C4' energy: -16.819
flat angles C4'-P-C4' energy: -20.297
flat angles P-C4'-P energy: -13.081
tors. eta vs tors. theta energy: -19.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -251.029834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.029834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.029834 (E_RNA)
where:
Base-Base interactions energy: -172.247
where: short stacking energy: -63.595
Base-Backbone interact. energy: -2.369
local terms energy: -76.414603
where:
bonds (distance) C4'-P energy: -16.711
bonds (distance) P-C4' energy: -19.249
flat angles C4'-P-C4' energy: -17.103
flat angles P-C4'-P energy: -10.853
tors. eta vs tors. theta energy: -12.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -203.489892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.489892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.489892 (E_RNA)
where:
Base-Base interactions energy: -125.147
where: short stacking energy: -61.792
Base-Backbone interact. energy: -0.169
local terms energy: -78.173674
where:
bonds (distance) C4'-P energy: -18.580
bonds (distance) P-C4' energy: -19.532
flat angles C4'-P-C4' energy: -15.590
flat angles P-C4'-P energy: -11.246
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: 8, replica: 4
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -142.524102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.524102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.524102 (E_RNA)
where:
Base-Base interactions energy: -78.393
where: short stacking energy: -42.241
Base-Backbone interact. energy: -0.528
local terms energy: -63.602852
where:
bonds (distance) C4'-P energy: -18.957
bonds (distance) P-C4' energy: -20.236
flat angles C4'-P-C4' energy: -15.044
flat angles P-C4'-P energy: -4.489
tors. eta vs tors. theta energy: -4.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -109.133091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.133091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.133091 (E_RNA)
where:
Base-Base interactions energy: -45.336
where: short stacking energy: -42.759
Base-Backbone interact. energy: 2.387
local terms energy: -66.184117
where:
bonds (distance) C4'-P energy: -15.646
bonds (distance) P-C4' energy: -21.564
flat angles C4'-P-C4' energy: -12.856
flat angles P-C4'-P energy: -10.012
tors. eta vs tors. theta energy: -6.107
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: 10, replica: 1
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -110.670636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.670636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.670636 (E_RNA)
where:
Base-Base interactions energy: -45.935
where: short stacking energy: -26.243
Base-Backbone interact. energy: -0.520
local terms energy: -64.215945
where:
bonds (distance) C4'-P energy: -16.954
bonds (distance) P-C4' energy: -22.788
flat angles C4'-P-C4' energy: -14.938
flat angles P-C4'-P energy: -8.629
tors. eta vs tors. theta energy: -0.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -324.813524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.813524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.813524 (E_RNA)
where:
Base-Base interactions energy: -218.869
where: short stacking energy: -97.027
Base-Backbone interact. energy: -0.268
local terms energy: -105.676133
where:
bonds (distance) C4'-P energy: -17.923
bonds (distance) P-C4' energy: -21.243
flat angles C4'-P-C4' energy: -19.547
flat angles P-C4'-P energy: -17.528
tors. eta vs tors. theta energy: -29.434
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: 2
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -326.597044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.597044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.597044 (E_RNA)
where:
Base-Base interactions energy: -220.165
where: short stacking energy: -90.959
Base-Backbone interact. energy: -0.877
local terms energy: -105.555502
where:
bonds (distance) C4'-P energy: -18.295
bonds (distance) P-C4' energy: -24.585
flat angles C4'-P-C4' energy: -21.204
flat angles P-C4'-P energy: -16.736
tors. eta vs tors. theta energy: -24.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -303.993437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.993437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.993437 (E_RNA)
where:
Base-Base interactions energy: -213.044
where: short stacking energy: -85.225
Base-Backbone interact. energy: -1.126
local terms energy: -89.823710
where:
bonds (distance) C4'-P energy: -16.165
bonds (distance) P-C4' energy: -21.651
flat angles C4'-P-C4' energy: -16.830
flat angles P-C4'-P energy: -7.742
tors. eta vs tors. theta energy: -27.436
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: 3
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -285.341317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.341317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.341317 (E_RNA)
where:
Base-Base interactions energy: -193.225
where: short stacking energy: -81.573
Base-Backbone interact. energy: -0.070
local terms energy: -92.047063
where:
bonds (distance) C4'-P energy: -22.219
bonds (distance) P-C4' energy: -18.917
flat angles C4'-P-C4' energy: -17.092
flat angles P-C4'-P energy: -8.858
tors. eta vs tors. theta energy: -24.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -272.376273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.376273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.376273 (E_RNA)
where:
Base-Base interactions energy: -180.662
where: short stacking energy: -73.978
Base-Backbone interact. energy: -0.020
local terms energy: -91.694503
where:
bonds (distance) C4'-P energy: -16.375
bonds (distance) P-C4' energy: -21.467
flat angles C4'-P-C4' energy: -22.464
flat angles P-C4'-P energy: -13.087
tors. eta vs tors. theta energy: -18.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -214.144992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.144992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.144992 (E_RNA)
where:
Base-Base interactions energy: -127.698
where: short stacking energy: -72.638
Base-Backbone interact. energy: 0.052
local terms energy: -86.498239
where:
bonds (distance) C4'-P energy: -19.856
bonds (distance) P-C4' energy: -21.110
flat angles C4'-P-C4' energy: -19.705
flat angles P-C4'-P energy: -7.983
tors. eta vs tors. theta energy: -17.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -265.583176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.583176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.583176 (E_RNA)
where:
Base-Base interactions energy: -176.618
where: short stacking energy: -87.678
Base-Backbone interact. energy: -0.125
local terms energy: -88.840005
where:
bonds (distance) C4'-P energy: -19.524
bonds (distance) P-C4' energy: -17.307
flat angles C4'-P-C4' energy: -23.325
flat angles P-C4'-P energy: -6.897
tors. eta vs tors. theta energy: -21.787
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: 4
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -122.736347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.736347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.736347 (E_RNA)
where:
Base-Base interactions energy: -61.793
where: short stacking energy: -48.368
Base-Backbone interact. energy: -1.234
local terms energy: -59.709151
where:
bonds (distance) C4'-P energy: -9.322
bonds (distance) P-C4' energy: -22.355
flat angles C4'-P-C4' energy: -17.214
flat angles P-C4'-P energy: -1.662
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: 9, replica: 9
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -100.940753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.940753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.940753 (E_RNA)
where:
Base-Base interactions energy: -36.326
where: short stacking energy: -28.951
Base-Backbone interact. energy: -0.244
local terms energy: -64.371164
where:
bonds (distance) C4'-P energy: -22.467
bonds (distance) P-C4' energy: -18.442
flat angles C4'-P-C4' energy: -7.884
flat angles P-C4'-P energy: -16.669
tors. eta vs tors. theta energy: 1.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -92.232592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.232592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.232592 (E_RNA)
where:
Base-Base interactions energy: -36.336
where: short stacking energy: -24.619
Base-Backbone interact. energy: -0.308
local terms energy: -55.588461
where:
bonds (distance) C4'-P energy: -19.512
bonds (distance) P-C4' energy: -21.298
flat angles C4'-P-C4' energy: -12.893
flat angles P-C4'-P energy: -4.855
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: 1, replica: 2
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -344.980179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.980179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.980179 (E_RNA)
where:
Base-Base interactions energy: -245.102
where: short stacking energy: -96.739
Base-Backbone interact. energy: -0.105
local terms energy: -99.773333
where:
bonds (distance) C4'-P energy: -18.039
bonds (distance) P-C4' energy: -19.267
flat angles C4'-P-C4' energy: -22.721
flat angles P-C4'-P energy: -15.689
tors. eta vs tors. theta energy: -24.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -321.610259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.610259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.610259 (E_RNA)
where:
Base-Base interactions energy: -218.211
where: short stacking energy: -95.293
Base-Backbone interact. energy: 2.688
local terms energy: -106.086883
where:
bonds (distance) C4'-P energy: -21.685
bonds (distance) P-C4' energy: -21.644
flat angles C4'-P-C4' energy: -21.246
flat angles P-C4'-P energy: -13.780
tors. eta vs tors. theta energy: -27.732
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: 224
Temperature: 1.000000
Total energy: -286.488353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.488353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.488353 (E_RNA)
where:
Base-Base interactions energy: -198.193
where: short stacking energy: -79.681
Base-Backbone interact. energy: -0.042
local terms energy: -88.253764
where:
bonds (distance) C4'-P energy: -15.119
bonds (distance) P-C4' energy: -20.998
flat angles C4'-P-C4' energy: -20.440
flat angles P-C4'-P energy: -11.165
tors. eta vs tors. theta energy: -20.532
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: 5
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -292.763018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.763018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.763018 (E_RNA)
where:
Base-Base interactions energy: -206.804
where: short stacking energy: -85.955
Base-Backbone interact. energy: -0.278
local terms energy: -85.680910
where:
bonds (distance) C4'-P energy: -9.105
bonds (distance) P-C4' energy: -22.058
flat angles C4'-P-C4' energy: -22.341
flat angles P-C4'-P energy: -6.730
tors. eta vs tors. theta energy: -25.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -276.266051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.266051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.266051 (E_RNA)
where:
Base-Base interactions energy: -184.682
where: short stacking energy: -78.494
Base-Backbone interact. energy: -0.007
local terms energy: -91.576552
where:
bonds (distance) C4'-P energy: -16.427
bonds (distance) P-C4' energy: -20.485
flat angles C4'-P-C4' energy: -20.658
flat angles P-C4'-P energy: -10.672
tors. eta vs tors. theta energy: -23.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -190.183085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.183085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.183085 (E_RNA)
where:
Base-Base interactions energy: -106.374
where: short stacking energy: -57.785
Base-Backbone interact. energy: -1.232
local terms energy: -82.577526
where:
bonds (distance) C4'-P energy: -19.925
bonds (distance) P-C4' energy: -25.069
flat angles C4'-P-C4' energy: -14.661
flat angles P-C4'-P energy: -11.022
tors. eta vs tors. theta energy: -11.899
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: 7, replica: 8
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -240.480895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.480895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.480895 (E_RNA)
where:
Base-Base interactions energy: -151.544
where: short stacking energy: -71.676
Base-Backbone interact. energy: -0.395
local terms energy: -88.541851
where:
bonds (distance) C4'-P energy: -20.795
bonds (distance) P-C4' energy: -16.606
flat angles C4'-P-C4' energy: -14.736
flat angles P-C4'-P energy: -17.701
tors. eta vs tors. theta energy: -18.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -150.143875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.143875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.143875 (E_RNA)
where:
Base-Base interactions energy: -85.326
where: short stacking energy: -30.363
Base-Backbone interact. energy: 1.053
local terms energy: -65.870636
where:
bonds (distance) C4'-P energy: -19.851
bonds (distance) P-C4' energy: -16.287
flat angles C4'-P-C4' energy: -17.249
flat angles P-C4'-P energy: -9.640
tors. eta vs tors. theta energy: -2.845
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: 9, replica: 1
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -115.269768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.269768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.269768 (E_RNA)
where:
Base-Base interactions energy: -46.018
where: short stacking energy: -19.308
Base-Backbone interact. energy: 0.086
local terms energy: -69.337449
where:
bonds (distance) C4'-P energy: -18.402
bonds (distance) P-C4' energy: -18.573
flat angles C4'-P-C4' energy: -16.422
flat angles P-C4'-P energy: -16.581
tors. eta vs tors. theta energy: 0.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -105.997672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.997672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.997672 (E_RNA)
where:
Base-Base interactions energy: -45.782
where: short stacking energy: -39.029
Base-Backbone interact. energy: 0.781
local terms energy: -60.996893
where:
bonds (distance) C4'-P energy: -22.302
bonds (distance) P-C4' energy: -14.952
flat angles C4'-P-C4' energy: -16.096
flat angles P-C4'-P energy: -5.283
tors. eta vs tors. theta energy: -2.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -321.127969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.127969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.127969 (E_RNA)
where:
Base-Base interactions energy: -221.816
where: short stacking energy: -82.400
Base-Backbone interact. energy: -0.323
local terms energy: -98.989202
where:
bonds (distance) C4'-P energy: -17.931
bonds (distance) P-C4' energy: -20.670
flat angles C4'-P-C4' energy: -22.080
flat angles P-C4'-P energy: -17.655
tors. eta vs tors. theta energy: -20.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -321.386799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.386799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.386799 (E_RNA)
where:
Base-Base interactions energy: -215.823
where: short stacking energy: -92.268
Base-Backbone interact. energy: -1.410
local terms energy: -104.153879
where:
bonds (distance) C4'-P energy: -22.172
bonds (distance) P-C4' energy: -23.025
flat angles C4'-P-C4' energy: -21.677
flat angles P-C4'-P energy: -9.002
tors. eta vs tors. theta energy: -28.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -277.434687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.434687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.434687 (E_RNA)
where:
Base-Base interactions energy: -195.856
where: short stacking energy: -75.523
Base-Backbone interact. energy: -1.085
local terms energy: -80.493863
where:
bonds (distance) C4'-P energy: -16.045
bonds (distance) P-C4' energy: -16.346
flat angles C4'-P-C4' energy: -18.790
flat angles P-C4'-P energy: -10.600
tors. eta vs tors. theta energy: -18.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -268.009739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.009739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.009739 (E_RNA)
where:
Base-Base interactions energy: -176.487
where: short stacking energy: -66.321
Base-Backbone interact. energy: 0.574
local terms energy: -92.097425
where:
bonds (distance) C4'-P energy: -18.067
bonds (distance) P-C4' energy: -22.021
flat angles C4'-P-C4' energy: -19.752
flat angles P-C4'-P energy: -13.907
tors. eta vs tors. theta energy: -18.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -283.559157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.559157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.559157 (E_RNA)
where:
Base-Base interactions energy: -201.097
where: short stacking energy: -76.913
Base-Backbone interact. energy: -0.301
local terms energy: -82.160963
where:
bonds (distance) C4'-P energy: -14.028
bonds (distance) P-C4' energy: -18.871
flat angles C4'-P-C4' energy: -20.153
flat angles P-C4'-P energy: -8.415
tors. eta vs tors. theta energy: -20.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -246.182096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.182096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.182096 (E_RNA)
where:
Base-Base interactions energy: -168.412
where: short stacking energy: -64.296
Base-Backbone interact. energy: -1.161
local terms energy: -76.609285
where:
bonds (distance) C4'-P energy: -18.663
bonds (distance) P-C4' energy: -21.399
flat angles C4'-P-C4' energy: -12.626
flat angles P-C4'-P energy: -9.870
tors. eta vs tors. theta energy: -14.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -184.130719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.130719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.130719 (E_RNA)
where:
Base-Base interactions energy: -110.657
where: short stacking energy: -53.613
Base-Backbone interact. energy: -0.033
local terms energy: -73.440348
where:
bonds (distance) C4'-P energy: -15.756
bonds (distance) P-C4' energy: -20.349
flat angles C4'-P-C4' energy: -19.832
flat angles P-C4'-P energy: -6.435
tors. eta vs tors. theta energy: -11.069
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: 225
Temperature: 1.250000
Total energy: -105.679123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.679123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.679123 (E_RNA)
where:
Base-Base interactions energy: -35.313
where: short stacking energy: -32.221
Base-Backbone interact. energy: -0.331
local terms energy: -70.034621
where:
bonds (distance) C4'-P energy: -19.539
bonds (distance) P-C4' energy: -21.242
flat angles C4'-P-C4' energy: -19.263
flat angles P-C4'-P energy: -6.489
tors. eta vs tors. theta energy: -3.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -106.429236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.429236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.429236 (E_RNA)
where:
Base-Base interactions energy: -48.008
where: short stacking energy: -33.206
Base-Backbone interact. energy: -0.130
local terms energy: -58.291145
where:
bonds (distance) C4'-P energy: -15.533
bonds (distance) P-C4' energy: -14.454
flat angles C4'-P-C4' energy: -12.708
flat angles P-C4'-P energy: -11.915
tors. eta vs tors. theta energy: -3.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -108.704533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.704533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.704533 (E_RNA)
where:
Base-Base interactions energy: -52.117
where: short stacking energy: -14.301
Base-Backbone interact. energy: -0.251
local terms energy: -56.336458
where:
bonds (distance) C4'-P energy: -18.896
bonds (distance) P-C4' energy: -18.045
flat angles C4'-P-C4' energy: -17.962
flat angles P-C4'-P energy: -8.274
tors. eta vs tors. theta energy: 6.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -326.264937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.264937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.264937 (E_RNA)
where:
Base-Base interactions energy: -215.272
where: short stacking energy: -99.532
Base-Backbone interact. energy: -0.679
local terms energy: -110.314687
where:
bonds (distance) C4'-P energy: -21.179
bonds (distance) P-C4' energy: -21.288
flat angles C4'-P-C4' energy: -24.054
flat angles P-C4'-P energy: -14.553
tors. eta vs tors. theta energy: -29.241
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: 226
Temperature: 0.950000
Total energy: -315.204330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.204330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.204330 (E_RNA)
where:
Base-Base interactions energy: -213.274
where: short stacking energy: -88.806
Base-Backbone interact. energy: -0.151
local terms energy: -101.779775
where:
bonds (distance) C4'-P energy: -21.754
bonds (distance) P-C4' energy: -24.407
flat angles C4'-P-C4' energy: -19.758
flat angles P-C4'-P energy: -10.476
tors. eta vs tors. theta energy: -25.385
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: 10
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -274.756198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.756198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.756198 (E_RNA)
where:
Base-Base interactions energy: -188.522
where: short stacking energy: -76.280
Base-Backbone interact. energy: 0.958
local terms energy: -87.192819
where:
bonds (distance) C4'-P energy: -21.225
bonds (distance) P-C4' energy: -16.778
flat angles C4'-P-C4' energy: -19.288
flat angles P-C4'-P energy: -7.687
tors. eta vs tors. theta energy: -22.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -269.716130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.716130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.716130 (E_RNA)
where:
Base-Base interactions energy: -184.712
where: short stacking energy: -72.678
Base-Backbone interact. energy: 0.045
local terms energy: -85.049053
where:
bonds (distance) C4'-P energy: -14.233
bonds (distance) P-C4' energy: -20.538
flat angles C4'-P-C4' energy: -21.930
flat angles P-C4'-P energy: -9.734
tors. eta vs tors. theta energy: -18.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -272.342551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.342551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.342551 (E_RNA)
where:
Base-Base interactions energy: -176.889
where: short stacking energy: -70.372
Base-Backbone interact. energy: -0.121
local terms energy: -95.332154
where:
bonds (distance) C4'-P energy: -20.216
bonds (distance) P-C4' energy: -22.519
flat angles C4'-P-C4' energy: -18.431
flat angles P-C4'-P energy: -12.233
tors. eta vs tors. theta energy: -21.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -233.846872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.846872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.846872 (E_RNA)
where:
Base-Base interactions energy: -145.648
where: short stacking energy: -56.293
Base-Backbone interact. energy: -0.106
local terms energy: -88.093485
where:
bonds (distance) C4'-P energy: -21.846
bonds (distance) P-C4' energy: -19.529
flat angles C4'-P-C4' energy: -20.153
flat angles P-C4'-P energy: -13.787
tors. eta vs tors. theta energy: -12.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -158.629455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.629455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.629455 (E_RNA)
where:
Base-Base interactions energy: -92.365
where: short stacking energy: -47.048
Base-Backbone interact. energy: -0.288
local terms energy: -65.976047
where:
bonds (distance) C4'-P energy: -11.708
bonds (distance) P-C4' energy: -23.251
flat angles C4'-P-C4' energy: -16.336
flat angles P-C4'-P energy: -9.330
tors. eta vs tors. theta energy: -5.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -122.311716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.311716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.311716 (E_RNA)
where:
Base-Base interactions energy: -50.014
where: short stacking energy: -39.897
Base-Backbone interact. energy: -0.039
local terms energy: -72.258490
where:
bonds (distance) C4'-P energy: -19.726
bonds (distance) P-C4' energy: -18.433
flat angles C4'-P-C4' energy: -18.433
flat angles P-C4'-P energy: -11.234
tors. eta vs tors. theta energy: -4.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -121.559329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.559329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.559329 (E_RNA)
where:
Base-Base interactions energy: -46.087
where: short stacking energy: -42.197
Base-Backbone interact. energy: -0.491
local terms energy: -74.981882
where:
bonds (distance) C4'-P energy: -19.107
bonds (distance) P-C4' energy: -21.862
flat angles C4'-P-C4' energy: -19.665
flat angles P-C4'-P energy: -5.091
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: 10, replica: 4
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -97.763293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.763293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.763293 (E_RNA)
where:
Base-Base interactions energy: -31.197
where: short stacking energy: -31.297
Base-Backbone interact. energy: -0.152
local terms energy: -66.414240
where:
bonds (distance) C4'-P energy: -14.465
bonds (distance) P-C4' energy: -18.094
flat angles C4'-P-C4' energy: -17.883
flat angles P-C4'-P energy: -11.082
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: 1, replica: 7
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -321.358668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.358668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.358668 (E_RNA)
where:
Base-Base interactions energy: -221.932
where: short stacking energy: -84.127
Base-Backbone interact. energy: -0.739
local terms energy: -98.687978
where:
bonds (distance) C4'-P energy: -23.210
bonds (distance) P-C4' energy: -18.653
flat angles C4'-P-C4' energy: -24.046
flat angles P-C4'-P energy: -10.154
tors. eta vs tors. theta energy: -22.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -317.451352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.451352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.451352 (E_RNA)
where:
Base-Base interactions energy: -216.013
where: short stacking energy: -91.864
Base-Backbone interact. energy: -0.265
local terms energy: -101.173039
where:
bonds (distance) C4'-P energy: -18.542
bonds (distance) P-C4' energy: -19.764
flat angles C4'-P-C4' energy: -23.464
flat angles P-C4'-P energy: -10.889
tors. eta vs tors. theta energy: -28.514
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: 3, replica: 10
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -284.859296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.859296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.859296 (E_RNA)
where:
Base-Base interactions energy: -192.200
where: short stacking energy: -75.617
Base-Backbone interact. energy: -0.382
local terms energy: -92.277510
where:
bonds (distance) C4'-P energy: -18.099
bonds (distance) P-C4' energy: -19.658
flat angles C4'-P-C4' energy: -19.242
flat angles P-C4'-P energy: -14.296
tors. eta vs tors. theta energy: -20.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -275.867159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.867159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.867159 (E_RNA)
where:
Base-Base interactions energy: -183.302
where: short stacking energy: -74.944
Base-Backbone interact. energy: -0.215
local terms energy: -92.349736
where:
bonds (distance) C4'-P energy: -19.732
bonds (distance) P-C4' energy: -16.157
flat angles C4'-P-C4' energy: -18.456
flat angles P-C4'-P energy: -15.731
tors. eta vs tors. theta energy: -22.273
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: 3
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -272.242952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.242952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.242952 (E_RNA)
where:
Base-Base interactions energy: -182.809
where: short stacking energy: -74.067
Base-Backbone interact. energy: -0.092
local terms energy: -89.341630
where:
bonds (distance) C4'-P energy: -15.298
bonds (distance) P-C4' energy: -21.875
flat angles C4'-P-C4' energy: -19.836
flat angles P-C4'-P energy: -13.897
tors. eta vs tors. theta energy: -18.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -266.382704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.382704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.382704 (E_RNA)
where:
Base-Base interactions energy: -174.080
where: short stacking energy: -76.189
Base-Backbone interact. energy: -0.310
local terms energy: -91.993386
where:
bonds (distance) C4'-P energy: -19.781
bonds (distance) P-C4' energy: -19.591
flat angles C4'-P-C4' energy: -18.138
flat angles P-C4'-P energy: -13.573
tors. eta vs tors. theta energy: -20.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -190.389184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.389184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.389184 (E_RNA)
where:
Base-Base interactions energy: -102.791
where: short stacking energy: -56.275
Base-Backbone interact. energy: -0.145
local terms energy: -87.454053
where:
bonds (distance) C4'-P energy: -17.833
bonds (distance) P-C4' energy: -20.488
flat angles C4'-P-C4' energy: -19.935
flat angles P-C4'-P energy: -13.908
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: 8, replica: 1
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -108.268071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.268071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.268071 (E_RNA)
where:
Base-Base interactions energy: -47.125
where: short stacking energy: -32.589
Base-Backbone interact. energy: -0.350
local terms energy: -60.793040
where:
bonds (distance) C4'-P energy: -18.978
bonds (distance) P-C4' energy: -19.408
flat angles C4'-P-C4' energy: -14.165
flat angles P-C4'-P energy: -9.210
tors. eta vs tors. theta energy: 0.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -147.229547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.229547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.229547 (E_RNA)
where:
Base-Base interactions energy: -84.403
where: short stacking energy: -53.816
Base-Backbone interact. energy: -0.167
local terms energy: -62.659696
where:
bonds (distance) C4'-P energy: -10.595
bonds (distance) P-C4' energy: -11.072
flat angles C4'-P-C4' energy: -19.269
flat angles P-C4'-P energy: -10.849
tors. eta vs tors. theta energy: -10.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -95.120202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.120202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.120202 (E_RNA)
where:
Base-Base interactions energy: -43.770
where: short stacking energy: -21.097
Base-Backbone interact. energy: -0.380
local terms energy: -50.970275
where:
bonds (distance) C4'-P energy: -13.760
bonds (distance) P-C4' energy: -24.110
flat angles C4'-P-C4' energy: -10.180
flat angles P-C4'-P energy: -5.763
tors. eta vs tors. theta energy: 2.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -325.209607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.209607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.209607 (E_RNA)
where:
Base-Base interactions energy: -219.306
where: short stacking energy: -95.539
Base-Backbone interact. energy: -0.197
local terms energy: -105.706158
where:
bonds (distance) C4'-P energy: -19.620
bonds (distance) P-C4' energy: -25.107
flat angles C4'-P-C4' energy: -22.523
flat angles P-C4'-P energy: -14.932
tors. eta vs tors. theta energy: -23.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -322.163754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.163754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.163754 (E_RNA)
where:
Base-Base interactions energy: -210.042
where: short stacking energy: -92.706
Base-Backbone interact. energy: 0.386
local terms energy: -112.507181
where:
bonds (distance) C4'-P energy: -21.979
bonds (distance) P-C4' energy: -21.757
flat angles C4'-P-C4' energy: -25.325
flat angles P-C4'-P energy: -16.934
tors. eta vs tors. theta energy: -26.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -278.824017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.824017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.824017 (E_RNA)
where:
Base-Base interactions energy: -190.674
where: short stacking energy: -86.711
Base-Backbone interact. energy: 0.005
local terms energy: -88.154725
where:
bonds (distance) C4'-P energy: -19.531
bonds (distance) P-C4' energy: -12.329
flat angles C4'-P-C4' energy: -17.024
flat angles P-C4'-P energy: -13.699
tors. eta vs tors. theta energy: -25.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -283.298684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.298684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.298684 (E_RNA)
where:
Base-Base interactions energy: -194.042
where: short stacking energy: -75.695
Base-Backbone interact. energy: 0.101
local terms energy: -89.358318
where:
bonds (distance) C4'-P energy: -18.186
bonds (distance) P-C4' energy: -21.260
flat angles C4'-P-C4' energy: -16.578
flat angles P-C4'-P energy: -9.421
tors. eta vs tors. theta energy: -23.914
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: 8
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -263.679158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.679158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.679158 (E_RNA)
where:
Base-Base interactions energy: -180.071
where: short stacking energy: -69.974
Base-Backbone interact. energy: -1.379
local terms energy: -82.229369
where:
bonds (distance) C4'-P energy: -19.395
bonds (distance) P-C4' energy: -15.373
flat angles C4'-P-C4' energy: -23.842
flat angles P-C4'-P energy: -8.722
tors. eta vs tors. theta energy: -14.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -270.828624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.828624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.828624 (E_RNA)
where:
Base-Base interactions energy: -183.179
where: short stacking energy: -66.458
Base-Backbone interact. energy: -0.006
local terms energy: -87.644245
where:
bonds (distance) C4'-P energy: -18.161
bonds (distance) P-C4' energy: -20.449
flat angles C4'-P-C4' energy: -19.697
flat angles P-C4'-P energy: -8.762
tors. eta vs tors. theta energy: -20.575
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: 7, replica: 6
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -181.842238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.842238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.842238 (E_RNA)
where:
Base-Base interactions energy: -96.103
where: short stacking energy: -56.477
Base-Backbone interact. energy: -0.636
local terms energy: -85.102721
where:
bonds (distance) C4'-P energy: -21.741
bonds (distance) P-C4' energy: -22.377
flat angles C4'-P-C4' energy: -18.499
flat angles P-C4'-P energy: -11.608
tors. eta vs tors. theta energy: -10.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -125.181298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.181298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.181298 (E_RNA)
where:
Base-Base interactions energy: -56.332
where: short stacking energy: -39.894
Base-Backbone interact. energy: -0.177
local terms energy: -68.672819
where:
bonds (distance) C4'-P energy: -20.816
bonds (distance) P-C4' energy: -15.563
flat angles C4'-P-C4' energy: -14.304
flat angles P-C4'-P energy: -9.787
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: 9, replica: 9
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -150.933019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.933019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.933019 (E_RNA)
where:
Base-Base interactions energy: -76.651
where: short stacking energy: -50.442
Base-Backbone interact. energy: -0.134
local terms energy: -74.147619
where:
bonds (distance) C4'-P energy: -17.493
bonds (distance) P-C4' energy: -20.113
flat angles C4'-P-C4' energy: -16.985
flat angles P-C4'-P energy: -13.300
tors. eta vs tors. theta energy: -6.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -108.577863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.577863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.577863 (E_RNA)
where:
Base-Base interactions energy: -39.839
where: short stacking energy: -34.119
Base-Backbone interact. energy: -0.620
local terms energy: -68.118580
where:
bonds (distance) C4'-P energy: -10.387
bonds (distance) P-C4' energy: -22.855
flat angles C4'-P-C4' energy: -15.484
flat angles P-C4'-P energy: -11.628
tors. eta vs tors. theta energy: -7.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -332.431743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.431743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.431743 (E_RNA)
where:
Base-Base interactions energy: -227.434
where: short stacking energy: -102.654
Base-Backbone interact. energy: -0.108
local terms energy: -104.889252
where:
bonds (distance) C4'-P energy: -22.558
bonds (distance) P-C4' energy: -18.883
flat angles C4'-P-C4' energy: -23.758
flat angles P-C4'-P energy: -13.605
tors. eta vs tors. theta energy: -26.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -320.178291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.178291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.178291 (E_RNA)
where:
Base-Base interactions energy: -216.987
where: short stacking energy: -93.938
Base-Backbone interact. energy: -0.243
local terms energy: -102.948108
where:
bonds (distance) C4'-P energy: -20.241
bonds (distance) P-C4' energy: -20.108
flat angles C4'-P-C4' energy: -20.758
flat angles P-C4'-P energy: -13.797
tors. eta vs tors. theta energy: -28.044
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: 5
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -281.497426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.497426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.497426 (E_RNA)
where:
Base-Base interactions energy: -186.467
where: short stacking energy: -76.532
Base-Backbone interact. energy: -0.101
local terms energy: -94.929008
where:
bonds (distance) C4'-P energy: -22.033
bonds (distance) P-C4' energy: -17.828
flat angles C4'-P-C4' energy: -20.788
flat angles P-C4'-P energy: -16.269
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: 4, replica: 8
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -288.263114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.263114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.263114 (E_RNA)
where:
Base-Base interactions energy: -194.876
where: short stacking energy: -81.042
Base-Backbone interact. energy: -0.514
local terms energy: -92.873548
where:
bonds (distance) C4'-P energy: -15.231
bonds (distance) P-C4' energy: -19.859
flat angles C4'-P-C4' energy: -23.181
flat angles P-C4'-P energy: -13.502
tors. eta vs tors. theta energy: -21.100
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: 10
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -271.831424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.831424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.831424 (E_RNA)
where:
Base-Base interactions energy: -195.481
where: short stacking energy: -75.552
Base-Backbone interact. energy: -0.093
local terms energy: -76.256830
where:
bonds (distance) C4'-P energy: -8.694
bonds (distance) P-C4' energy: -18.670
flat angles C4'-P-C4' energy: -21.996
flat angles P-C4'-P energy: -8.544
tors. eta vs tors. theta energy: -18.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -271.190995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.190995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.190995 (E_RNA)
where:
Base-Base interactions energy: -176.532
where: short stacking energy: -75.213
Base-Backbone interact. energy: -0.406
local terms energy: -94.252485
where:
bonds (distance) C4'-P energy: -16.543
bonds (distance) P-C4' energy: -21.098
flat angles C4'-P-C4' energy: -19.437
flat angles P-C4'-P energy: -13.416
tors. eta vs tors. theta energy: -23.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -167.959526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.959526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.959526 (E_RNA)
where:
Base-Base interactions energy: -96.820
where: short stacking energy: -44.322
Base-Backbone interact. energy: -0.272
local terms energy: -70.867569
where:
bonds (distance) C4'-P energy: -16.890
bonds (distance) P-C4' energy: -17.443
flat angles C4'-P-C4' energy: -21.208
flat angles P-C4'-P energy: -10.899
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: 8, replica: 9
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -167.352388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.352388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.352388 (E_RNA)
where:
Base-Base interactions energy: -86.009
where: short stacking energy: -56.911
Base-Backbone interact. energy: -0.887
local terms energy: -80.455984
where:
bonds (distance) C4'-P energy: -23.395
bonds (distance) P-C4' energy: -17.289
flat angles C4'-P-C4' energy: -14.823
flat angles P-C4'-P energy: -13.508
tors. eta vs tors. theta energy: -11.440
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: 1
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -106.984174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.984174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.984174 (E_RNA)
where:
Base-Base interactions energy: -50.081
where: short stacking energy: -48.363
Base-Backbone interact. energy: -0.280
local terms energy: -56.623179
where:
bonds (distance) C4'-P energy: -12.258
bonds (distance) P-C4' energy: -19.364
flat angles C4'-P-C4' energy: -19.490
flat angles P-C4'-P energy: -0.430
tors. eta vs tors. theta energy: -5.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -98.620033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.620033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.620033 (E_RNA)
where:
Base-Base interactions energy: -39.101
where: short stacking energy: -35.766
Base-Backbone interact. energy: 0.158
local terms energy: -59.677378
where:
bonds (distance) C4'-P energy: -12.274
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -14.410
flat angles P-C4'-P energy: -9.891
tors. eta vs tors. theta energy: -6.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -336.317516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.317516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.317516 (E_RNA)
where:
Base-Base interactions energy: -232.210
where: short stacking energy: -105.675
Base-Backbone interact. energy: -0.059
local terms energy: -104.048321
where:
bonds (distance) C4'-P energy: -20.116
bonds (distance) P-C4' energy: -19.847
flat angles C4'-P-C4' energy: -21.704
flat angles P-C4'-P energy: -17.063
tors. eta vs tors. theta energy: -25.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -328.375073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.375073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.375073 (E_RNA)
where:
Base-Base interactions energy: -220.557
where: short stacking energy: -98.307
Base-Backbone interact. energy: -1.294
local terms energy: -106.523545
where:
bonds (distance) C4'-P energy: -20.319
bonds (distance) P-C4' energy: -18.397
flat angles C4'-P-C4' energy: -24.094
flat angles P-C4'-P energy: -15.407
tors. eta vs tors. theta energy: -28.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -285.564620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.564620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.564620 (E_RNA)
where:
Base-Base interactions energy: -197.514
where: short stacking energy: -83.086
Base-Backbone interact. energy: -0.437
local terms energy: -87.613676
where:
bonds (distance) C4'-P energy: -18.657
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -21.657
flat angles P-C4'-P energy: -9.441
tors. eta vs tors. theta energy: -22.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -295.292836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.292836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.292836 (E_RNA)
where:
Base-Base interactions energy: -195.182
where: short stacking energy: -79.844
Base-Backbone interact. energy: -0.612
local terms energy: -99.498956
where:
bonds (distance) C4'-P energy: -21.370
bonds (distance) P-C4' energy: -18.831
flat angles C4'-P-C4' energy: -20.137
flat angles P-C4'-P energy: -15.657
tors. eta vs tors. theta energy: -23.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -259.913240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.913240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.913240 (E_RNA)
where:
Base-Base interactions energy: -176.341
where: short stacking energy: -78.158
Base-Backbone interact. energy: -0.154
local terms energy: -83.417607
where:
bonds (distance) C4'-P energy: -19.487
bonds (distance) P-C4' energy: -18.628
flat angles C4'-P-C4' energy: -16.235
flat angles P-C4'-P energy: -10.028
tors. eta vs tors. theta energy: -19.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -266.795727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.795727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.795727 (E_RNA)
where:
Base-Base interactions energy: -171.247
where: short stacking energy: -72.177
Base-Backbone interact. energy: -0.126
local terms energy: -95.423291
where:
bonds (distance) C4'-P energy: -19.673
bonds (distance) P-C4' energy: -23.297
flat angles C4'-P-C4' energy: -20.193
flat angles P-C4'-P energy: -15.684
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: 7, replica: 9
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -167.114441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.114441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.114441 (E_RNA)
where:
Base-Base interactions energy: -85.400
where: short stacking energy: -56.302
Base-Backbone interact. energy: -0.887
local terms energy: -80.826967
where:
bonds (distance) C4'-P energy: -23.031
bonds (distance) P-C4' energy: -18.335
flat angles C4'-P-C4' energy: -14.509
flat angles P-C4'-P energy: -13.205
tors. eta vs tors. theta energy: -11.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -166.973875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.973875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.973875 (E_RNA)
where:
Base-Base interactions energy: -93.703
where: short stacking energy: -53.329
Base-Backbone interact. energy: -1.167
local terms energy: -72.104240
where:
bonds (distance) C4'-P energy: -19.592
bonds (distance) P-C4' energy: -21.936
flat angles C4'-P-C4' energy: -18.036
flat angles P-C4'-P energy: -3.317
tors. eta vs tors. theta energy: -9.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -101.509734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.509734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.509734 (E_RNA)
where:
Base-Base interactions energy: -42.623
where: short stacking energy: -42.623
Base-Backbone interact. energy: -0.039
local terms energy: -58.847283
where:
bonds (distance) C4'-P energy: -12.490
bonds (distance) P-C4' energy: -17.331
flat angles C4'-P-C4' energy: -15.270
flat angles P-C4'-P energy: -10.262
tors. eta vs tors. theta energy: -3.494
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: 10, replica: 1
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -90.155835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.155835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.155835 (E_RNA)
where:
Base-Base interactions energy: -33.098
where: short stacking energy: -30.205
Base-Backbone interact. energy: 1.021
local terms energy: -58.078785
where:
bonds (distance) C4'-P energy: -18.050
bonds (distance) P-C4' energy: -22.072
flat angles C4'-P-C4' energy: -16.470
flat angles P-C4'-P energy: -3.203
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: 1, replica: 2
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -325.951706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.951706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.951706 (E_RNA)
where:
Base-Base interactions energy: -227.820
where: short stacking energy: -97.771
Base-Backbone interact. energy: -0.203
local terms energy: -97.928979
where:
bonds (distance) C4'-P energy: -17.656
bonds (distance) P-C4' energy: -16.144
flat angles C4'-P-C4' energy: -21.435
flat angles P-C4'-P energy: -14.433
tors. eta vs tors. theta energy: -28.261
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: 7
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -322.428505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.428505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.428505 (E_RNA)
where:
Base-Base interactions energy: -223.162
where: short stacking energy: -88.747
Base-Backbone interact. energy: -0.097
local terms energy: -99.169091
where:
bonds (distance) C4'-P energy: -21.637
bonds (distance) P-C4' energy: -21.419
flat angles C4'-P-C4' energy: -18.674
flat angles P-C4'-P energy: -12.801
tors. eta vs tors. theta energy: -24.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -293.518311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.518311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.518311 (E_RNA)
where:
Base-Base interactions energy: -196.695
where: short stacking energy: -80.661
Base-Backbone interact. energy: -0.328
local terms energy: -96.495838
where:
bonds (distance) C4'-P energy: -19.388
bonds (distance) P-C4' energy: -17.981
flat angles C4'-P-C4' energy: -24.584
flat angles P-C4'-P energy: -11.389
tors. eta vs tors. theta energy: -23.154
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: 4, replica: 8
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -289.919019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.919019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.919019 (E_RNA)
where:
Base-Base interactions energy: -201.589
where: short stacking energy: -86.259
Base-Backbone interact. energy: -1.435
local terms energy: -86.894126
where:
bonds (distance) C4'-P energy: -19.163
bonds (distance) P-C4' energy: -21.911
flat angles C4'-P-C4' energy: -17.871
flat angles P-C4'-P energy: -8.451
tors. eta vs tors. theta energy: -19.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -270.296030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.296030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.296030 (E_RNA)
where:
Base-Base interactions energy: -178.070
where: short stacking energy: -68.824
Base-Backbone interact. energy: -0.003
local terms energy: -92.222929
where:
bonds (distance) C4'-P energy: -17.011
bonds (distance) P-C4' energy: -23.228
flat angles C4'-P-C4' energy: -17.479
flat angles P-C4'-P energy: -15.488
tors. eta vs tors. theta energy: -19.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -267.829027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.829027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.829027 (E_RNA)
where:
Base-Base interactions energy: -184.906
where: short stacking energy: -73.410
Base-Backbone interact. energy: -0.113
local terms energy: -82.810119
where:
bonds (distance) C4'-P energy: -15.834
bonds (distance) P-C4' energy: -19.155
flat angles C4'-P-C4' energy: -21.021
flat angles P-C4'-P energy: -8.393
tors. eta vs tors. theta energy: -18.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -126.665561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.665561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.665561 (E_RNA)
where:
Base-Base interactions energy: -64.655
where: short stacking energy: -43.509
Base-Backbone interact. energy: -0.136
local terms energy: -61.875058
where:
bonds (distance) C4'-P energy: -12.667
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -17.563
flat angles P-C4'-P energy: -10.327
tors. eta vs tors. theta energy: -6.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -168.670836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.670836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.670836 (E_RNA)
where:
Base-Base interactions energy: -87.649
where: short stacking energy: -48.682
Base-Backbone interact. energy: 0.256
local terms energy: -81.277690
where:
bonds (distance) C4'-P energy: -18.162
bonds (distance) P-C4' energy: -16.217
flat angles C4'-P-C4' energy: -20.102
flat angles P-C4'-P energy: -15.208
tors. eta vs tors. theta energy: -11.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -98.171885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.171885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.171885 (E_RNA)
where:
Base-Base interactions energy: -35.471
where: short stacking energy: -35.471
Base-Backbone interact. energy: -0.156
local terms energy: -62.544118
where:
bonds (distance) C4'-P energy: -17.753
bonds (distance) P-C4' energy: -18.471
flat angles C4'-P-C4' energy: -12.683
flat angles P-C4'-P energy: -11.001
tors. eta vs tors. theta energy: -2.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -99.890236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.890236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.890236 (E_RNA)
where:
Base-Base interactions energy: -46.994
where: short stacking energy: -31.905
Base-Backbone interact. energy: -0.254
local terms energy: -52.642324
where:
bonds (distance) C4'-P energy: -16.328
bonds (distance) P-C4' energy: -7.895
flat angles C4'-P-C4' energy: -14.942
flat angles P-C4'-P energy: -11.855
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: 2
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -330.626132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.626132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.626132 (E_RNA)
where:
Base-Base interactions energy: -224.948
where: short stacking energy: -100.125
Base-Backbone interact. energy: -0.880
local terms energy: -104.798119
where:
bonds (distance) C4'-P energy: -20.932
bonds (distance) P-C4' energy: -19.472
flat angles C4'-P-C4' energy: -21.425
flat angles P-C4'-P energy: -13.832
tors. eta vs tors. theta energy: -29.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -322.487740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.487740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.487740 (E_RNA)
where:
Base-Base interactions energy: -216.235
where: short stacking energy: -94.326
Base-Backbone interact. energy: -1.238
local terms energy: -105.014279
where:
bonds (distance) C4'-P energy: -19.267
bonds (distance) P-C4' energy: -23.279
flat angles C4'-P-C4' energy: -24.306
flat angles P-C4'-P energy: -14.038
tors. eta vs tors. theta energy: -24.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -290.797675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.797675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.797675 (E_RNA)
where:
Base-Base interactions energy: -189.319
where: short stacking energy: -71.599
Base-Backbone interact. energy: -0.075
local terms energy: -101.403130
where:
bonds (distance) C4'-P energy: -19.456
bonds (distance) P-C4' energy: -20.328
flat angles C4'-P-C4' energy: -20.060
flat angles P-C4'-P energy: -16.564
tors. eta vs tors. theta energy: -24.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -289.882403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.882403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.882403 (E_RNA)
where:
Base-Base interactions energy: -202.072
where: short stacking energy: -76.519
Base-Backbone interact. energy: -1.656
local terms energy: -86.154355
where:
bonds (distance) C4'-P energy: -18.026
bonds (distance) P-C4' energy: -18.897
flat angles C4'-P-C4' energy: -17.162
flat angles P-C4'-P energy: -11.441
tors. eta vs tors. theta energy: -20.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -271.174400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.174400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.174400 (E_RNA)
where:
Base-Base interactions energy: -184.561
where: short stacking energy: -71.556
Base-Backbone interact. energy: -0.357
local terms energy: -86.256539
where:
bonds (distance) C4'-P energy: -18.116
bonds (distance) P-C4' energy: -23.998
flat angles C4'-P-C4' energy: -20.260
flat angles P-C4'-P energy: -5.952
tors. eta vs tors. theta energy: -17.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -257.103478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.103478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.103478 (E_RNA)
where:
Base-Base interactions energy: -178.883
where: short stacking energy: -61.989
Base-Backbone interact. energy: -0.243
local terms energy: -77.977642
where:
bonds (distance) C4'-P energy: -11.943
bonds (distance) P-C4' energy: -23.014
flat angles C4'-P-C4' energy: -20.482
flat angles P-C4'-P energy: -7.128
tors. eta vs tors. theta energy: -15.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -173.200251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.200251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.200251 (E_RNA)
where:
Base-Base interactions energy: -102.811
where: short stacking energy: -50.074
Base-Backbone interact. energy: -0.924
local terms energy: -69.465228
where:
bonds (distance) C4'-P energy: -16.017
bonds (distance) P-C4' energy: -17.409
flat angles C4'-P-C4' energy: -14.885
flat angles P-C4'-P energy: -9.637
tors. eta vs tors. theta energy: -11.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -117.496549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.496549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.496549 (E_RNA)
where:
Base-Base interactions energy: -50.961
where: short stacking energy: -50.961
Base-Backbone interact. energy: -0.107
local terms energy: -66.429441
where:
bonds (distance) C4'-P energy: -16.634
bonds (distance) P-C4' energy: -14.100
flat angles C4'-P-C4' energy: -16.122
flat angles P-C4'-P energy: -8.651
tors. eta vs tors. theta energy: -10.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -102.471133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.471133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.471133 (E_RNA)
where:
Base-Base interactions energy: -45.052
where: short stacking energy: -43.658
Base-Backbone interact. energy: -0.064
local terms energy: -57.354905
where:
bonds (distance) C4'-P energy: -15.153
bonds (distance) P-C4' energy: -16.623
flat angles C4'-P-C4' energy: -11.146
flat angles P-C4'-P energy: -11.097
tors. eta vs tors. theta energy: -3.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -107.735382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.735382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.735382 (E_RNA)
where:
Base-Base interactions energy: -53.037
where: short stacking energy: -27.474
Base-Backbone interact. energy: -0.106
local terms energy: -54.592932
where:
bonds (distance) C4'-P energy: -10.289
bonds (distance) P-C4' energy: -15.323
flat angles C4'-P-C4' energy: -17.308
flat angles P-C4'-P energy: -5.866
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: 1, replica: 2
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -330.435932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.435932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.435932 (E_RNA)
where:
Base-Base interactions energy: -226.616
where: short stacking energy: -100.781
Base-Backbone interact. energy: -0.242
local terms energy: -103.577281
where:
bonds (distance) C4'-P energy: -21.915
bonds (distance) P-C4' energy: -18.998
flat angles C4'-P-C4' energy: -19.546
flat angles P-C4'-P energy: -14.053
tors. eta vs tors. theta energy: -29.065
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: 7
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -330.897903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.897903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.897903 (E_RNA)
where:
Base-Base interactions energy: -225.902
where: short stacking energy: -99.456
Base-Backbone interact. energy: -0.619
local terms energy: -104.376962
where:
bonds (distance) C4'-P energy: -20.460
bonds (distance) P-C4' energy: -23.117
flat angles C4'-P-C4' energy: -19.048
flat angles P-C4'-P energy: -17.670
tors. eta vs tors. theta energy: -24.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -297.731367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.731367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.731367 (E_RNA)
where:
Base-Base interactions energy: -201.248
where: short stacking energy: -85.451
Base-Backbone interact. energy: -0.290
local terms energy: -96.193680
where:
bonds (distance) C4'-P energy: -17.496
bonds (distance) P-C4' energy: -20.741
flat angles C4'-P-C4' energy: -21.566
flat angles P-C4'-P energy: -13.331
tors. eta vs tors. theta energy: -23.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -283.611331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.611331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.611331 (E_RNA)
where:
Base-Base interactions energy: -196.436
where: short stacking energy: -76.393
Base-Backbone interact. energy: -0.266
local terms energy: -86.909258
where:
bonds (distance) C4'-P energy: -20.411
bonds (distance) P-C4' energy: -16.223
flat angles C4'-P-C4' energy: -23.170
flat angles P-C4'-P energy: -6.870
tors. eta vs tors. theta energy: -20.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -290.143595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.143595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.143595 (E_RNA)
where:
Base-Base interactions energy: -188.966
where: short stacking energy: -79.129
Base-Backbone interact. energy: -0.745
local terms energy: -100.432092
where:
bonds (distance) C4'-P energy: -22.960
bonds (distance) P-C4' energy: -14.522
flat angles C4'-P-C4' energy: -18.353
flat angles P-C4'-P energy: -18.758
tors. eta vs tors. theta energy: -25.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -221.101953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.101953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.101953 (E_RNA)
where:
Base-Base interactions energy: -140.700
where: short stacking energy: -68.609
Base-Backbone interact. energy: 0.020
local terms energy: -80.421307
where:
bonds (distance) C4'-P energy: -16.708
bonds (distance) P-C4' energy: -17.972
flat angles C4'-P-C4' energy: -18.748
flat angles P-C4'-P energy: -12.728
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: 6
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -189.432860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.432860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.432860 (E_RNA)
where:
Base-Base interactions energy: -111.718
where: short stacking energy: -59.139
Base-Backbone interact. energy: -0.159
local terms energy: -77.555705
where:
bonds (distance) C4'-P energy: -15.281
bonds (distance) P-C4' energy: -18.522
flat angles C4'-P-C4' energy: -24.773
flat angles P-C4'-P energy: -10.248
tors. eta vs tors. theta energy: -8.732
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: 8, replica: 1
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -138.535124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.535124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.535124 (E_RNA)
where:
Base-Base interactions energy: -70.369
where: short stacking energy: -45.114
Base-Backbone interact. energy: -0.097
local terms energy: -68.069584
where:
bonds (distance) C4'-P energy: -14.271
bonds (distance) P-C4' energy: -15.158
flat angles C4'-P-C4' energy: -17.201
flat angles P-C4'-P energy: -13.937
tors. eta vs tors. theta energy: -7.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -102.487808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.487808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.487808 (E_RNA)
where:
Base-Base interactions energy: -31.781
where: short stacking energy: -24.132
Base-Backbone interact. energy: -0.075
local terms energy: -70.631893
where:
bonds (distance) C4'-P energy: -16.380
bonds (distance) P-C4' energy: -20.931
flat angles C4'-P-C4' energy: -18.880
flat angles P-C4'-P energy: -13.293
tors. eta vs tors. theta energy: -1.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -107.323262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.323262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.323262 (E_RNA)
where:
Base-Base interactions energy: -32.349
where: short stacking energy: -26.098
Base-Backbone interact. energy: -0.333
local terms energy: -74.640765
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -21.089
flat angles C4'-P-C4' energy: -17.142
flat angles P-C4'-P energy: -13.920
tors. eta vs tors. theta energy: -7.542
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: 7
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -337.137519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.137519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.137519 (E_RNA)
where:
Base-Base interactions energy: -229.084
where: short stacking energy: -95.269
Base-Backbone interact. energy: -0.895
local terms energy: -107.157883
where:
bonds (distance) C4'-P energy: -22.566
bonds (distance) P-C4' energy: -22.980
flat angles C4'-P-C4' energy: -19.449
flat angles P-C4'-P energy: -15.167
tors. eta vs tors. theta energy: -26.997
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: 2, replica: 2
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -329.562818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.562818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.562818 (E_RNA)
where:
Base-Base interactions energy: -222.241
where: short stacking energy: -97.812
Base-Backbone interact. energy: -0.494
local terms energy: -106.827665
where:
bonds (distance) C4'-P energy: -18.753
bonds (distance) P-C4' energy: -23.225
flat angles C4'-P-C4' energy: -21.477
flat angles P-C4'-P energy: -17.408
tors. eta vs tors. theta energy: -25.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -291.294408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.294408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.294408 (E_RNA)
where:
Base-Base interactions energy: -194.833
where: short stacking energy: -87.282
Base-Backbone interact. energy: -0.804
local terms energy: -95.657387
where:
bonds (distance) C4'-P energy: -15.836
bonds (distance) P-C4' energy: -20.070
flat angles C4'-P-C4' energy: -19.647
flat angles P-C4'-P energy: -17.108
tors. eta vs tors. theta energy: -22.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -289.960696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.960696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.960696 (E_RNA)
where:
Base-Base interactions energy: -195.438
where: short stacking energy: -81.825
Base-Backbone interact. energy: 0.297
local terms energy: -94.820002
where:
bonds (distance) C4'-P energy: -16.428
bonds (distance) P-C4' energy: -19.831
flat angles C4'-P-C4' energy: -21.856
flat angles P-C4'-P energy: -14.708
tors. eta vs tors. theta energy: -21.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -278.420182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.420182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.420182 (E_RNA)
where:
Base-Base interactions energy: -188.455
where: short stacking energy: -74.167
Base-Backbone interact. energy: -0.186
local terms energy: -89.778822
where:
bonds (distance) C4'-P energy: -22.261
bonds (distance) P-C4' energy: -21.592
flat angles C4'-P-C4' energy: -17.282
flat angles P-C4'-P energy: -10.438
tors. eta vs tors. theta energy: -18.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -222.401305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.401305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.401305 (E_RNA)
where:
Base-Base interactions energy: -140.458
where: short stacking energy: -60.040
Base-Backbone interact. energy: -0.571
local terms energy: -81.372228
where:
bonds (distance) C4'-P energy: -18.248
bonds (distance) P-C4' energy: -19.124
flat angles C4'-P-C4' energy: -19.442
flat angles P-C4'-P energy: -11.744
tors. eta vs tors. theta energy: -12.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -181.824564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.824564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.824564 (E_RNA)
where:
Base-Base interactions energy: -101.973
where: short stacking energy: -53.444
Base-Backbone interact. energy: -0.118
local terms energy: -79.734299
where:
bonds (distance) C4'-P energy: -15.921
bonds (distance) P-C4' energy: -21.525
flat angles C4'-P-C4' energy: -20.161
flat angles P-C4'-P energy: -11.171
tors. eta vs tors. theta energy: -10.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -107.173242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.173242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.173242 (E_RNA)
where:
Base-Base interactions energy: -53.935
where: short stacking energy: -32.846
Base-Backbone interact. energy: -0.420
local terms energy: -52.818901
where:
bonds (distance) C4'-P energy: -19.428
bonds (distance) P-C4' energy: -14.865
flat angles C4'-P-C4' energy: -15.372
flat angles P-C4'-P energy: -6.054
tors. eta vs tors. theta energy: 2.900
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: 4
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -112.734198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.734198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.734198 (E_RNA)
where:
Base-Base interactions energy: -45.467
where: short stacking energy: -31.781
Base-Backbone interact. energy: -0.292
local terms energy: -66.975141
where:
bonds (distance) C4'-P energy: -21.925
bonds (distance) P-C4' energy: -17.844
flat angles C4'-P-C4' energy: -14.845
flat angles P-C4'-P energy: -14.396
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: 10, replica: 9
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -106.362787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.362787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.362787 (E_RNA)
where:
Base-Base interactions energy: -40.955
where: short stacking energy: -38.198
Base-Backbone interact. energy: -0.287
local terms energy: -65.120957
where:
bonds (distance) C4'-P energy: -22.029
bonds (distance) P-C4' energy: -16.761
flat angles C4'-P-C4' energy: -18.536
flat angles P-C4'-P energy: -5.528
tors. eta vs tors. theta energy: -2.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -334.001701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.001701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.001701 (E_RNA)
where:
Base-Base interactions energy: -229.315
where: short stacking energy: -99.763
Base-Backbone interact. energy: -0.918
local terms energy: -103.768176
where:
bonds (distance) C4'-P energy: -18.956
bonds (distance) P-C4' energy: -21.266
flat angles C4'-P-C4' energy: -21.852
flat angles P-C4'-P energy: -15.259
tors. eta vs tors. theta energy: -26.435
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: 2
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -333.503216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.503216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.503216 (E_RNA)
where:
Base-Base interactions energy: -225.919
where: short stacking energy: -94.896
Base-Backbone interact. energy: -0.975
local terms energy: -106.609620
where:
bonds (distance) C4'-P energy: -18.461
bonds (distance) P-C4' energy: -20.882
flat angles C4'-P-C4' energy: -22.165
flat angles P-C4'-P energy: -16.697
tors. eta vs tors. theta energy: -28.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -289.639764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.639764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.639764 (E_RNA)
where:
Base-Base interactions energy: -195.889
where: short stacking energy: -77.749
Base-Backbone interact. energy: -0.029
local terms energy: -93.721812
where:
bonds (distance) C4'-P energy: -19.337
bonds (distance) P-C4' energy: -21.132
flat angles C4'-P-C4' energy: -19.785
flat angles P-C4'-P energy: -12.043
tors. eta vs tors. theta energy: -21.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -291.644290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.644290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.644290 (E_RNA)
where:
Base-Base interactions energy: -202.847
where: short stacking energy: -73.861
Base-Backbone interact. energy: -0.434
local terms energy: -88.363022
where:
bonds (distance) C4'-P energy: -17.273
bonds (distance) P-C4' energy: -18.997
flat angles C4'-P-C4' energy: -25.956
flat angles P-C4'-P energy: -4.980
tors. eta vs tors. theta energy: -21.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -287.556876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.556876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.556876 (E_RNA)
where:
Base-Base interactions energy: -199.191
where: short stacking energy: -86.831
Base-Backbone interact. energy: 0.219
local terms energy: -88.584672
where:
bonds (distance) C4'-P energy: -11.343
bonds (distance) P-C4' energy: -21.901
flat angles C4'-P-C4' energy: -21.693
flat angles P-C4'-P energy: -9.454
tors. eta vs tors. theta energy: -24.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -196.786713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.786713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.786713 (E_RNA)
where:
Base-Base interactions energy: -124.078
where: short stacking energy: -56.686
Base-Backbone interact. energy: -0.247
local terms energy: -72.462268
where:
bonds (distance) C4'-P energy: -20.504
bonds (distance) P-C4' energy: -16.731
flat angles C4'-P-C4' energy: -17.412
flat angles P-C4'-P energy: -7.465
tors. eta vs tors. theta energy: -10.350
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: 3
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -234.693355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.693355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.693355 (E_RNA)
where:
Base-Base interactions energy: -161.959
where: short stacking energy: -66.178
Base-Backbone interact. energy: -1.025
local terms energy: -71.708846
where:
bonds (distance) C4'-P energy: -14.610
bonds (distance) P-C4' energy: -14.763
flat angles C4'-P-C4' energy: -19.857
flat angles P-C4'-P energy: -10.452
tors. eta vs tors. theta energy: -12.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -139.014061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.014061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.014061 (E_RNA)
where:
Base-Base interactions energy: -60.703
where: short stacking energy: -41.106
Base-Backbone interact. energy: -0.021
local terms energy: -78.290379
where:
bonds (distance) C4'-P energy: -20.770
bonds (distance) P-C4' energy: -24.672
flat angles C4'-P-C4' energy: -14.130
flat angles P-C4'-P energy: -11.016
tors. eta vs tors. theta energy: -7.703
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: 9, replica: 4
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -118.040726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.040726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.040726 (E_RNA)
where:
Base-Base interactions energy: -46.880
where: short stacking energy: -46.880
Base-Backbone interact. energy: -0.306
local terms energy: -70.854644
where:
bonds (distance) C4'-P energy: -11.810
bonds (distance) P-C4' energy: -19.088
flat angles C4'-P-C4' energy: -16.280
flat angles P-C4'-P energy: -15.885
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: 9
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -102.505723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.505723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.505723 (E_RNA)
where:
Base-Base interactions energy: -37.930
where: short stacking energy: -25.770
Base-Backbone interact. energy: -0.253
local terms energy: -64.323337
where:
bonds (distance) C4'-P energy: -20.369
bonds (distance) P-C4' energy: -19.217
flat angles C4'-P-C4' energy: -15.771
flat angles P-C4'-P energy: -8.711
tors. eta vs tors. theta energy: -0.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -334.329948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.329948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.329948 (E_RNA)
where:
Base-Base interactions energy: -225.510
where: short stacking energy: -97.543
Base-Backbone interact. energy: -0.371
local terms energy: -108.449139
where:
bonds (distance) C4'-P energy: -19.801
bonds (distance) P-C4' energy: -21.166
flat angles C4'-P-C4' energy: -24.484
flat angles P-C4'-P energy: -14.537
tors. eta vs tors. theta energy: -28.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -327.033242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.033242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.033242 (E_RNA)
where:
Base-Base interactions energy: -220.583
where: short stacking energy: -88.344
Base-Backbone interact. energy: -0.015
local terms energy: -106.435063
where:
bonds (distance) C4'-P energy: -22.521
bonds (distance) P-C4' energy: -22.979
flat angles C4'-P-C4' energy: -20.907
flat angles P-C4'-P energy: -13.504
tors. eta vs tors. theta energy: -26.524
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: 10
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -292.866471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.866471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.866471 (E_RNA)
where:
Base-Base interactions energy: -197.337
where: short stacking energy: -80.588
Base-Backbone interact. energy: 0.224
local terms energy: -95.753760
where:
bonds (distance) C4'-P energy: -21.098
bonds (distance) P-C4' energy: -15.568
flat angles C4'-P-C4' energy: -20.276
flat angles P-C4'-P energy: -15.588
tors. eta vs tors. theta energy: -23.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -277.976578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.976578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.976578 (E_RNA)
where:
Base-Base interactions energy: -189.936
where: short stacking energy: -82.883
Base-Backbone interact. energy: 0.597
local terms energy: -88.637825
where:
bonds (distance) C4'-P energy: -15.587
bonds (distance) P-C4' energy: -19.048
flat angles C4'-P-C4' energy: -19.470
flat angles P-C4'-P energy: -11.460
tors. eta vs tors. theta energy: -23.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -273.475276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.475276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.475276 (E_RNA)
where:
Base-Base interactions energy: -182.052
where: short stacking energy: -76.067
Base-Backbone interact. energy: 0.146
local terms energy: -91.569858
where:
bonds (distance) C4'-P energy: -18.787
bonds (distance) P-C4' energy: -22.979
flat angles C4'-P-C4' energy: -18.718
flat angles P-C4'-P energy: -15.845
tors. eta vs tors. theta energy: -15.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -192.686514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.686514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.686514 (E_RNA)
where:
Base-Base interactions energy: -108.839
where: short stacking energy: -64.822
Base-Backbone interact. energy: 0.489
local terms energy: -84.336081
where:
bonds (distance) C4'-P energy: -13.762
bonds (distance) P-C4' energy: -16.560
flat angles C4'-P-C4' energy: -19.783
flat angles P-C4'-P energy: -13.828
tors. eta vs tors. theta energy: -20.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -253.411483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.411483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.411483 (E_RNA)
where:
Base-Base interactions energy: -171.780
where: short stacking energy: -71.562
Base-Backbone interact. energy: -0.123
local terms energy: -81.508181
where:
bonds (distance) C4'-P energy: -14.155
bonds (distance) P-C4' energy: -19.308
flat angles C4'-P-C4' energy: -20.753
flat angles P-C4'-P energy: -7.844
tors. eta vs tors. theta energy: -19.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -121.888929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.888929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.888929 (E_RNA)
where:
Base-Base interactions energy: -54.451
where: short stacking energy: -41.381
Base-Backbone interact. energy: -0.610
local terms energy: -66.827946
where:
bonds (distance) C4'-P energy: -19.581
bonds (distance) P-C4' energy: -19.607
flat angles C4'-P-C4' energy: -19.765
flat angles P-C4'-P energy: -6.877
tors. eta vs tors. theta energy: -0.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -102.974348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.974348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.974348 (E_RNA)
where:
Base-Base interactions energy: -32.689
where: short stacking energy: -24.518
Base-Backbone interact. energy: 0.240
local terms energy: -70.525052
where:
bonds (distance) C4'-P energy: -22.628
bonds (distance) P-C4' energy: -18.031
flat angles C4'-P-C4' energy: -19.692
flat angles P-C4'-P energy: -13.324
tors. eta vs tors. theta energy: 3.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -97.357171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.357171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.357171 (E_RNA)
where:
Base-Base interactions energy: -33.325
where: short stacking energy: -32.949
Base-Backbone interact. energy: -0.026
local terms energy: -64.006634
where:
bonds (distance) C4'-P energy: -16.638
bonds (distance) P-C4' energy: -21.169
flat angles C4'-P-C4' energy: -11.614
flat angles P-C4'-P energy: -12.509
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: 1, replica: 2
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -331.288053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.288053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.288053 (E_RNA)
where:
Base-Base interactions energy: -219.254
where: short stacking energy: -101.444
Base-Backbone interact. energy: -0.327
local terms energy: -111.706432
where:
bonds (distance) C4'-P energy: -21.318
bonds (distance) P-C4' energy: -25.066
flat angles C4'-P-C4' energy: -23.512
flat angles P-C4'-P energy: -13.433
tors. eta vs tors. theta energy: -28.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -318.228068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.228068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.228068 (E_RNA)
where:
Base-Base interactions energy: -224.618
where: short stacking energy: -96.097
Base-Backbone interact. energy: 0.633
local terms energy: -94.242881
where:
bonds (distance) C4'-P energy: -13.467
bonds (distance) P-C4' energy: -17.897
flat angles C4'-P-C4' energy: -21.941
flat angles P-C4'-P energy: -14.806
tors. eta vs tors. theta energy: -26.132
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: 10
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -299.022798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.022798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.022798 (E_RNA)
where:
Base-Base interactions energy: -200.199
where: short stacking energy: -82.442
Base-Backbone interact. energy: 0.262
local terms energy: -99.085414
where:
bonds (distance) C4'-P energy: -18.614
bonds (distance) P-C4' energy: -22.187
flat angles C4'-P-C4' energy: -20.025
flat angles P-C4'-P energy: -14.803
tors. eta vs tors. theta energy: -23.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -277.492323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.492323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.492323 (E_RNA)
where:
Base-Base interactions energy: -182.513
where: short stacking energy: -80.337
Base-Backbone interact. energy: -0.265
local terms energy: -94.713932
where:
bonds (distance) C4'-P energy: -18.915
bonds (distance) P-C4' energy: -22.268
flat angles C4'-P-C4' energy: -11.629
flat angles P-C4'-P energy: -14.666
tors. eta vs tors. theta energy: -27.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -286.721505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.721505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.721505 (E_RNA)
where:
Base-Base interactions energy: -201.007
where: short stacking energy: -82.373
Base-Backbone interact. energy: -0.595
local terms energy: -85.118964
where:
bonds (distance) C4'-P energy: -12.121
bonds (distance) P-C4' energy: -21.001
flat angles C4'-P-C4' energy: -15.686
flat angles P-C4'-P energy: -11.355
tors. eta vs tors. theta energy: -24.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -257.156017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.156017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.156017 (E_RNA)
where:
Base-Base interactions energy: -171.832
where: short stacking energy: -75.358
Base-Backbone interact. energy: -0.110
local terms energy: -85.214291
where:
bonds (distance) C4'-P energy: -15.424
bonds (distance) P-C4' energy: -21.120
flat angles C4'-P-C4' energy: -17.254
flat angles P-C4'-P energy: -12.702
tors. eta vs tors. theta energy: -18.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -189.505469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.505469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.505469 (E_RNA)
where:
Base-Base interactions energy: -110.153
where: short stacking energy: -54.221
Base-Backbone interact. energy: -0.688
local terms energy: -78.664584
where:
bonds (distance) C4'-P energy: -15.651
bonds (distance) P-C4' energy: -17.006
flat angles C4'-P-C4' energy: -18.784
flat angles P-C4'-P energy: -11.236
tors. eta vs tors. theta energy: -15.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -108.778405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.778405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.778405 (E_RNA)
where:
Base-Base interactions energy: -39.421
where: short stacking energy: -39.421
Base-Backbone interact. energy: -0.251
local terms energy: -69.106559
where:
bonds (distance) C4'-P energy: -18.564
bonds (distance) P-C4' energy: -17.976
flat angles C4'-P-C4' energy: -14.677
flat angles P-C4'-P energy: -11.211
tors. eta vs tors. theta energy: -6.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -99.916711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.916711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.916711 (E_RNA)
where:
Base-Base interactions energy: -39.544
where: short stacking energy: -39.544
Base-Backbone interact. energy: -0.236
local terms energy: -60.137091
where:
bonds (distance) C4'-P energy: -16.439
bonds (distance) P-C4' energy: -16.342
flat angles C4'-P-C4' energy: -12.364
flat angles P-C4'-P energy: -10.649
tors. eta vs tors. theta energy: -4.343
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: 4
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -102.919611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.919611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.919611 (E_RNA)
where:
Base-Base interactions energy: -49.767
where: short stacking energy: -49.767
Base-Backbone interact. energy: -0.101
local terms energy: -53.051386
where:
bonds (distance) C4'-P energy: -10.407
bonds (distance) P-C4' energy: -18.296
flat angles C4'-P-C4' energy: -18.099
flat angles P-C4'-P energy: -4.092
tors. eta vs tors. theta energy: -2.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -334.561851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.561851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.561851 (E_RNA)
where:
Base-Base interactions energy: -227.181
where: short stacking energy: -95.170
Base-Backbone interact. energy: -0.125
local terms energy: -107.256077
where:
bonds (distance) C4'-P energy: -19.947
bonds (distance) P-C4' energy: -22.034
flat angles C4'-P-C4' energy: -21.668
flat angles P-C4'-P energy: -14.257
tors. eta vs tors. theta energy: -29.351
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: 2, replica: 2
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -333.437178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.437178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.437178 (E_RNA)
where:
Base-Base interactions energy: -226.313
where: short stacking energy: -99.555
Base-Backbone interact. energy: -0.840
local terms energy: -106.284384
where:
bonds (distance) C4'-P energy: -17.147
bonds (distance) P-C4' energy: -19.949
flat angles C4'-P-C4' energy: -22.608
flat angles P-C4'-P energy: -16.746
tors. eta vs tors. theta energy: -29.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -294.643900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.643900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.643900 (E_RNA)
where:
Base-Base interactions energy: -202.129
where: short stacking energy: -80.398
Base-Backbone interact. energy: 0.055
local terms energy: -92.570089
where:
bonds (distance) C4'-P energy: -20.067
bonds (distance) P-C4' energy: -20.654
flat angles C4'-P-C4' energy: -19.448
flat angles P-C4'-P energy: -10.623
tors. eta vs tors. theta energy: -21.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -281.283584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.283584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.283584 (E_RNA)
where:
Base-Base interactions energy: -188.517
where: short stacking energy: -84.003
Base-Backbone interact. energy: -0.057
local terms energy: -92.709742
where:
bonds (distance) C4'-P energy: -20.539
bonds (distance) P-C4' energy: -16.919
flat angles C4'-P-C4' energy: -19.300
flat angles P-C4'-P energy: -15.281
tors. eta vs tors. theta energy: -20.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -264.756933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.756933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.756933 (E_RNA)
where:
Base-Base interactions energy: -174.474
where: short stacking energy: -74.052
Base-Backbone interact. energy: -0.045
local terms energy: -90.237095
where:
bonds (distance) C4'-P energy: -15.277
bonds (distance) P-C4' energy: -21.600
flat angles C4'-P-C4' energy: -20.138
flat angles P-C4'-P energy: -12.526
tors. eta vs tors. theta energy: -20.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -279.055384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.055384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.055384 (E_RNA)
where:
Base-Base interactions energy: -189.194
where: short stacking energy: -84.083
Base-Backbone interact. energy: -1.596
local terms energy: -88.265060
where:
bonds (distance) C4'-P energy: -14.477
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -21.458
flat angles P-C4'-P energy: -13.696
tors. eta vs tors. theta energy: -22.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -112.056719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.056719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.056719 (E_RNA)
where:
Base-Base interactions energy: -47.419
where: short stacking energy: -39.287
Base-Backbone interact. energy: -0.498
local terms energy: -64.140255
where:
bonds (distance) C4'-P energy: -16.063
bonds (distance) P-C4' energy: -19.811
flat angles C4'-P-C4' energy: -19.821
flat angles P-C4'-P energy: -4.916
tors. eta vs tors. theta energy: -3.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -171.132658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.132658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.132658 (E_RNA)
where:
Base-Base interactions energy: -102.710
where: short stacking energy: -53.943
Base-Backbone interact. energy: -0.069
local terms energy: -68.352924
where:
bonds (distance) C4'-P energy: -18.685
bonds (distance) P-C4' energy: -16.564
flat angles C4'-P-C4' energy: -12.339
flat angles P-C4'-P energy: -10.004
tors. eta vs tors. theta energy: -10.760
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: 238
Temperature: 1.300000
Total energy: -100.081094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.081094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.081094 (E_RNA)
where:
Base-Base interactions energy: -31.155
where: short stacking energy: -29.387
Base-Backbone interact. energy: 0.553
local terms energy: -69.479816
where:
bonds (distance) C4'-P energy: -18.009
bonds (distance) P-C4' energy: -16.180
flat angles C4'-P-C4' energy: -16.621
flat angles P-C4'-P energy: -17.422
tors. eta vs tors. theta energy: -1.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -101.140408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.140408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.140408 (E_RNA)
where:
Base-Base interactions energy: -44.595
where: short stacking energy: -32.886
Base-Backbone interact. energy: -0.436
local terms energy: -56.109066
where:
bonds (distance) C4'-P energy: -18.784
bonds (distance) P-C4' energy: -22.779
flat angles C4'-P-C4' energy: -15.650
flat angles P-C4'-P energy: -3.819
tors. eta vs tors. theta energy: 4.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -332.500799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.500799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.500799 (E_RNA)
where:
Base-Base interactions energy: -227.267
where: short stacking energy: -102.531
Base-Backbone interact. energy: -1.180
local terms energy: -104.054362
where:
bonds (distance) C4'-P energy: -15.810
bonds (distance) P-C4' energy: -21.690
flat angles C4'-P-C4' energy: -23.153
flat angles P-C4'-P energy: -14.272
tors. eta vs tors. theta energy: -29.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -289.663469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.663469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.663469 (E_RNA)
where:
Base-Base interactions energy: -193.475
where: short stacking energy: -78.922
Base-Backbone interact. energy: -0.567
local terms energy: -95.621088
where:
bonds (distance) C4'-P energy: -18.506
bonds (distance) P-C4' energy: -19.959
flat angles C4'-P-C4' energy: -21.064
flat angles P-C4'-P energy: -15.300
tors. eta vs tors. theta energy: -20.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -310.398443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.398443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.398443 (E_RNA)
where:
Base-Base interactions energy: -208.790
where: short stacking energy: -89.686
Base-Backbone interact. energy: -0.282
local terms energy: -101.326045
where:
bonds (distance) C4'-P energy: -21.651
bonds (distance) P-C4' energy: -18.748
flat angles C4'-P-C4' energy: -19.546
flat angles P-C4'-P energy: -16.437
tors. eta vs tors. theta energy: -24.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -298.668789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.668789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.668789 (E_RNA)
where:
Base-Base interactions energy: -211.889
where: short stacking energy: -86.886
Base-Backbone interact. energy: -0.587
local terms energy: -86.192757
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -19.142
flat angles C4'-P-C4' energy: -19.263
flat angles P-C4'-P energy: -7.588
tors. eta vs tors. theta energy: -25.687
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: 3
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -275.105136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.105136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.105136 (E_RNA)
where:
Base-Base interactions energy: -185.235
where: short stacking energy: -81.992
Base-Backbone interact. energy: 0.978
local terms energy: -90.847484
where:
bonds (distance) C4'-P energy: -20.114
bonds (distance) P-C4' energy: -20.154
flat angles C4'-P-C4' energy: -17.598
flat angles P-C4'-P energy: -13.328
tors. eta vs tors. theta energy: -19.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -285.542826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.542826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.542826 (E_RNA)
where:
Base-Base interactions energy: -189.424
where: short stacking energy: -87.713
Base-Backbone interact. energy: 2.653
local terms energy: -98.771986
where:
bonds (distance) C4'-P energy: -17.474
bonds (distance) P-C4' energy: -19.179
flat angles C4'-P-C4' energy: -21.772
flat angles P-C4'-P energy: -14.674
tors. eta vs tors. theta energy: -25.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -111.939338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.939338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.939338 (E_RNA)
where:
Base-Base interactions energy: -47.033
where: short stacking energy: -38.508
Base-Backbone interact. energy: 0.152
local terms energy: -65.058494
where:
bonds (distance) C4'-P energy: -16.547
bonds (distance) P-C4' energy: -18.841
flat angles C4'-P-C4' energy: -16.954
flat angles P-C4'-P energy: -12.817
tors. eta vs tors. theta energy: 0.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -120.345914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.345914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.345914 (E_RNA)
where:
Base-Base interactions energy: -49.612
where: short stacking energy: -42.587
Base-Backbone interact. energy: -0.489
local terms energy: -70.244796
where:
bonds (distance) C4'-P energy: -17.787
bonds (distance) P-C4' energy: -19.601
flat angles C4'-P-C4' energy: -16.143
flat angles P-C4'-P energy: -11.833
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: 6
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -180.498788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.498788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.498788 (E_RNA)
where:
Base-Base interactions energy: -108.984
where: short stacking energy: -57.439
Base-Backbone interact. energy: -0.359
local terms energy: -71.155814
where:
bonds (distance) C4'-P energy: -16.072
bonds (distance) P-C4' energy: -17.755
flat angles C4'-P-C4' energy: -14.085
flat angles P-C4'-P energy: -14.642
tors. eta vs tors. theta energy: -8.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -102.055450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.055450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.055450 (E_RNA)
where:
Base-Base interactions energy: -43.454
where: short stacking energy: -40.201
Base-Backbone interact. energy: -0.202
local terms energy: -58.399135
where:
bonds (distance) C4'-P energy: -18.605
bonds (distance) P-C4' energy: -19.653
flat angles C4'-P-C4' energy: -11.285
flat angles P-C4'-P energy: -8.325
tors. eta vs tors. theta energy: -0.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -324.303954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.303954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.303954 (E_RNA)
where:
Base-Base interactions energy: -214.956
where: short stacking energy: -95.289
Base-Backbone interact. energy: 0.227
local terms energy: -109.574918
where:
bonds (distance) C4'-P energy: -19.006
bonds (distance) P-C4' energy: -20.032
flat angles C4'-P-C4' energy: -22.947
flat angles P-C4'-P energy: -17.388
tors. eta vs tors. theta energy: -30.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -284.506706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.506706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.506706 (E_RNA)
where:
Base-Base interactions energy: -190.648
where: short stacking energy: -70.274
Base-Backbone interact. energy: -0.513
local terms energy: -93.345928
where:
bonds (distance) C4'-P energy: -24.165
bonds (distance) P-C4' energy: -17.620
flat angles C4'-P-C4' energy: -22.408
flat angles P-C4'-P energy: -12.162
tors. eta vs tors. theta energy: -16.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -322.774417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.774417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.774417 (E_RNA)
where:
Base-Base interactions energy: -218.594
where: short stacking energy: -102.105
Base-Backbone interact. energy: -1.064
local terms energy: -103.115732
where:
bonds (distance) C4'-P energy: -15.463
bonds (distance) P-C4' energy: -21.920
flat angles C4'-P-C4' energy: -22.827
flat angles P-C4'-P energy: -11.763
tors. eta vs tors. theta energy: -31.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -283.787493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.787493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.787493 (E_RNA)
where:
Base-Base interactions energy: -189.261
where: short stacking energy: -79.416
Base-Backbone interact. energy: -0.495
local terms energy: -94.031151
where:
bonds (distance) C4'-P energy: -18.525
bonds (distance) P-C4' energy: -18.140
flat angles C4'-P-C4' energy: -19.165
flat angles P-C4'-P energy: -15.224
tors. eta vs tors. theta energy: -22.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -290.465749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.465749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.465749 (E_RNA)
where:
Base-Base interactions energy: -201.153
where: short stacking energy: -84.587
Base-Backbone interact. energy: -0.323
local terms energy: -88.988945
where:
bonds (distance) C4'-P energy: -15.089
bonds (distance) P-C4' energy: -19.587
flat angles C4'-P-C4' energy: -23.195
flat angles P-C4'-P energy: -10.402
tors. eta vs tors. theta energy: -20.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -280.267804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.267804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.267804 (E_RNA)
where:
Base-Base interactions energy: -189.510
where: short stacking energy: -73.374
Base-Backbone interact. energy: -0.050
local terms energy: -90.707934
where:
bonds (distance) C4'-P energy: -19.872
bonds (distance) P-C4' energy: -16.120
flat angles C4'-P-C4' energy: -18.524
flat angles P-C4'-P energy: -15.834
tors. eta vs tors. theta energy: -20.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -116.193311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.193311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.193311 (E_RNA)
where:
Base-Base interactions energy: -56.081
where: short stacking energy: -33.427
Base-Backbone interact. energy: -0.154
local terms energy: -59.958383
where:
bonds (distance) C4'-P energy: -18.506
bonds (distance) P-C4' energy: -19.774
flat angles C4'-P-C4' energy: -14.175
flat angles P-C4'-P energy: -5.907
tors. eta vs tors. theta energy: -1.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -124.581875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.581875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.581875 (E_RNA)
where:
Base-Base interactions energy: -54.206
where: short stacking energy: -43.803
Base-Backbone interact. energy: -0.402
local terms energy: -69.973940
where:
bonds (distance) C4'-P energy: -16.399
bonds (distance) P-C4' energy: -19.304
flat angles C4'-P-C4' energy: -14.791
flat angles P-C4'-P energy: -11.538
tors. eta vs tors. theta energy: -7.942
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: 6
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -174.143526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.143526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.143526 (E_RNA)
where:
Base-Base interactions energy: -102.827
where: short stacking energy: -49.680
Base-Backbone interact. energy: -0.518
local terms energy: -70.799274
where:
bonds (distance) C4'-P energy: -15.158
bonds (distance) P-C4' energy: -20.343
flat angles C4'-P-C4' energy: -17.308
flat angles P-C4'-P energy: -8.552
tors. eta vs tors. theta energy: -9.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -103.507820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.507820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.507820 (E_RNA)
where:
Base-Base interactions energy: -49.469
where: short stacking energy: -37.154
Base-Backbone interact. energy: -0.660
local terms energy: -53.378927
where:
bonds (distance) C4'-P energy: -11.750
bonds (distance) P-C4' energy: -19.262
flat angles C4'-P-C4' energy: -14.862
flat angles P-C4'-P energy: -5.701
tors. eta vs tors. theta energy: -1.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -329.658744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.658744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.658744 (E_RNA)
where:
Base-Base interactions energy: -228.070
where: short stacking energy: -94.501
Base-Backbone interact. energy: -0.091
local terms energy: -101.497104
where:
bonds (distance) C4'-P energy: -19.031
bonds (distance) P-C4' energy: -19.879
flat angles C4'-P-C4' energy: -22.028
flat angles P-C4'-P energy: -12.732
tors. eta vs tors. theta energy: -27.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -328.736466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.736466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.736466 (E_RNA)
where:
Base-Base interactions energy: -228.532
where: short stacking energy: -101.374
Base-Backbone interact. energy: 0.253
local terms energy: -100.457444
where:
bonds (distance) C4'-P energy: -16.456
bonds (distance) P-C4' energy: -18.837
flat angles C4'-P-C4' energy: -18.854
flat angles P-C4'-P energy: -17.611
tors. eta vs tors. theta energy: -28.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -289.199673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.199673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.199673 (E_RNA)
where:
Base-Base interactions energy: -195.741
where: short stacking energy: -77.179
Base-Backbone interact. energy: -0.149
local terms energy: -93.309707
where:
bonds (distance) C4'-P energy: -22.617
bonds (distance) P-C4' energy: -21.137
flat angles C4'-P-C4' energy: -21.068
flat angles P-C4'-P energy: -12.976
tors. eta vs tors. theta energy: -15.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -279.729909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.729909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.729909 (E_RNA)
where:
Base-Base interactions energy: -182.037
where: short stacking energy: -79.892
Base-Backbone interact. energy: -0.410
local terms energy: -97.282895
where:
bonds (distance) C4'-P energy: -21.373
bonds (distance) P-C4' energy: -16.562
flat angles C4'-P-C4' energy: -23.608
flat angles P-C4'-P energy: -14.915
tors. eta vs tors. theta energy: -20.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -272.321807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.321807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.321807 (E_RNA)
where:
Base-Base interactions energy: -185.223
where: short stacking energy: -70.116
Base-Backbone interact. energy: -1.059
local terms energy: -86.039539
where:
bonds (distance) C4'-P energy: -17.228
bonds (distance) P-C4' energy: -16.629
flat angles C4'-P-C4' energy: -21.012
flat angles P-C4'-P energy: -12.694
tors. eta vs tors. theta energy: -18.477
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: 3
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -279.322898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.322898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.322898 (E_RNA)
where:
Base-Base interactions energy: -188.077
where: short stacking energy: -80.994
Base-Backbone interact. energy: -0.352
local terms energy: -90.893354
where:
bonds (distance) C4'-P energy: -17.814
bonds (distance) P-C4' energy: -18.850
flat angles C4'-P-C4' energy: -21.926
flat angles P-C4'-P energy: -9.248
tors. eta vs tors. theta energy: -23.054
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: 4
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -112.425224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.425224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.425224 (E_RNA)
where:
Base-Base interactions energy: -50.743
where: short stacking energy: -45.045
Base-Backbone interact. energy: 0.416
local terms energy: -62.097374
where:
bonds (distance) C4'-P energy: -13.173
bonds (distance) P-C4' energy: -21.253
flat angles C4'-P-C4' energy: -12.651
flat angles P-C4'-P energy: -7.626
tors. eta vs tors. theta energy: -7.394
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: 6
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -171.088996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.088996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.088996 (E_RNA)
where:
Base-Base interactions energy: -95.236
where: short stacking energy: -47.298
Base-Backbone interact. energy: -0.877
local terms energy: -74.975242
where:
bonds (distance) C4'-P energy: -13.189
bonds (distance) P-C4' energy: -21.310
flat angles C4'-P-C4' energy: -15.563
flat angles P-C4'-P energy: -15.459
tors. eta vs tors. theta energy: -9.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -115.030035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.030035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.030035 (E_RNA)
where:
Base-Base interactions energy: -44.872
where: short stacking energy: -31.778
Base-Backbone interact. energy: -0.374
local terms energy: -69.784248
where:
bonds (distance) C4'-P energy: -21.266
bonds (distance) P-C4' energy: -17.814
flat angles C4'-P-C4' energy: -16.929
flat angles P-C4'-P energy: -12.583
tors. eta vs tors. theta energy: -1.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -102.922976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.922976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.922976 (E_RNA)
where:
Base-Base interactions energy: -36.817
where: short stacking energy: -32.074
Base-Backbone interact. energy: -0.347
local terms energy: -65.759520
where:
bonds (distance) C4'-P energy: -15.851
bonds (distance) P-C4' energy: -19.557
flat angles C4'-P-C4' energy: -18.754
flat angles P-C4'-P energy: -7.881
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: 1, replica: 2
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -329.574470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.574470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.574470 (E_RNA)
where:
Base-Base interactions energy: -226.258
where: short stacking energy: -101.557
Base-Backbone interact. energy: -0.053
local terms energy: -103.264015
where:
bonds (distance) C4'-P energy: -21.348
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -21.196
flat angles P-C4'-P energy: -14.133
tors. eta vs tors. theta energy: -28.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -321.085584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.085584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.085584 (E_RNA)
where:
Base-Base interactions energy: -214.601
where: short stacking energy: -93.985
Base-Backbone interact. energy: 0.177
local terms energy: -106.661212
where:
bonds (distance) C4'-P energy: -23.897
bonds (distance) P-C4' energy: -20.409
flat angles C4'-P-C4' energy: -21.483
flat angles P-C4'-P energy: -12.152
tors. eta vs tors. theta energy: -28.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -291.893183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.893183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.893183 (E_RNA)
where:
Base-Base interactions energy: -191.241
where: short stacking energy: -82.507
Base-Backbone interact. energy: -0.010
local terms energy: -100.642507
where:
bonds (distance) C4'-P energy: -22.753
bonds (distance) P-C4' energy: -23.148
flat angles C4'-P-C4' energy: -19.165
flat angles P-C4'-P energy: -11.402
tors. eta vs tors. theta energy: -24.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -292.133122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.133122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.133122 (E_RNA)
where:
Base-Base interactions energy: -190.976
where: short stacking energy: -85.149
Base-Backbone interact. energy: -0.475
local terms energy: -100.682104
where:
bonds (distance) C4'-P energy: -17.270
bonds (distance) P-C4' energy: -16.289
flat angles C4'-P-C4' energy: -24.294
flat angles P-C4'-P energy: -19.375
tors. eta vs tors. theta energy: -23.455
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: 5
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -289.498789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.498789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.498789 (E_RNA)
where:
Base-Base interactions energy: -199.737
where: short stacking energy: -81.754
Base-Backbone interact. energy: -0.921
local terms energy: -88.841280
where:
bonds (distance) C4'-P energy: -19.256
bonds (distance) P-C4' energy: -23.175
flat angles C4'-P-C4' energy: -23.694
flat angles P-C4'-P energy: -6.888
tors. eta vs tors. theta energy: -15.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -272.266803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.266803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.266803 (E_RNA)
where:
Base-Base interactions energy: -192.191
where: short stacking energy: -80.674
Base-Backbone interact. energy: -0.013
local terms energy: -80.063221
where:
bonds (distance) C4'-P energy: -10.213
bonds (distance) P-C4' energy: -16.211
flat angles C4'-P-C4' energy: -22.070
flat angles P-C4'-P energy: -11.134
tors. eta vs tors. theta energy: -20.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -192.678451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.678451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.678451 (E_RNA)
where:
Base-Base interactions energy: -110.849
where: short stacking energy: -66.971
Base-Backbone interact. energy: 0.330
local terms energy: -82.159548
where:
bonds (distance) C4'-P energy: -21.565
bonds (distance) P-C4' energy: -20.908
flat angles C4'-P-C4' energy: -13.841
flat angles P-C4'-P energy: -12.523
tors. eta vs tors. theta energy: -13.322
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: 242
Temperature: 1.250000
Total energy: -112.534147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.534147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.534147 (E_RNA)
where:
Base-Base interactions energy: -51.774
where: short stacking energy: -51.774
Base-Backbone interact. energy: -0.198
local terms energy: -60.562314
where:
bonds (distance) C4'-P energy: -19.018
bonds (distance) P-C4' energy: -18.892
flat angles C4'-P-C4' energy: -14.287
flat angles P-C4'-P energy: -1.380
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: 1
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -109.524710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.524710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.524710 (E_RNA)
where:
Base-Base interactions energy: -42.631
where: short stacking energy: -27.352
Base-Backbone interact. energy: -0.392
local terms energy: -66.501617
where:
bonds (distance) C4'-P energy: -24.528
bonds (distance) P-C4' energy: -16.025
flat angles C4'-P-C4' energy: -18.020
flat angles P-C4'-P energy: -11.819
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: 10, replica: 9
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -99.568827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.568827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.568827 (E_RNA)
where:
Base-Base interactions energy: -36.563
where: short stacking energy: -15.488
Base-Backbone interact. energy: -0.262
local terms energy: -62.743271
where:
bonds (distance) C4'-P energy: -15.520
bonds (distance) P-C4' energy: -18.030
flat angles C4'-P-C4' energy: -18.358
flat angles P-C4'-P energy: -14.954
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: 1, replica: 2
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -331.871865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.871865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.871865 (E_RNA)
where:
Base-Base interactions energy: -227.420
where: short stacking energy: -93.330
Base-Backbone interact. energy: -0.315
local terms energy: -104.136997
where:
bonds (distance) C4'-P energy: -20.956
bonds (distance) P-C4' energy: -23.427
flat angles C4'-P-C4' energy: -23.503
flat angles P-C4'-P energy: -13.905
tors. eta vs tors. theta energy: -22.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -330.370918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.370918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.370918 (E_RNA)
where:
Base-Base interactions energy: -216.867
where: short stacking energy: -94.354
Base-Backbone interact. energy: 0.046
local terms energy: -113.550472
where:
bonds (distance) C4'-P energy: -21.710
bonds (distance) P-C4' energy: -22.690
flat angles C4'-P-C4' energy: -22.300
flat angles P-C4'-P energy: -15.760
tors. eta vs tors. theta energy: -31.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -292.566146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.566146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.566146 (E_RNA)
where:
Base-Base interactions energy: -201.170
where: short stacking energy: -82.495
Base-Backbone interact. energy: -0.072
local terms energy: -91.324443
where:
bonds (distance) C4'-P energy: -20.122
bonds (distance) P-C4' energy: -21.433
flat angles C4'-P-C4' energy: -20.712
flat angles P-C4'-P energy: -7.696
tors. eta vs tors. theta energy: -21.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -281.388679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.388679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.388679 (E_RNA)
where:
Base-Base interactions energy: -188.685
where: short stacking energy: -84.602
Base-Backbone interact. energy: -0.473
local terms energy: -92.229810
where:
bonds (distance) C4'-P energy: -18.677
bonds (distance) P-C4' energy: -21.629
flat angles C4'-P-C4' energy: -20.307
flat angles P-C4'-P energy: -9.622
tors. eta vs tors. theta energy: -21.996
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: 8
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -298.742320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.742320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.742320 (E_RNA)
where:
Base-Base interactions energy: -200.216
where: short stacking energy: -81.153
Base-Backbone interact. energy: -0.493
local terms energy: -98.033155
where:
bonds (distance) C4'-P energy: -19.048
bonds (distance) P-C4' energy: -19.630
flat angles C4'-P-C4' energy: -23.067
flat angles P-C4'-P energy: -12.412
tors. eta vs tors. theta energy: -23.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -255.177956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.177956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.177956 (E_RNA)
where:
Base-Base interactions energy: -174.985
where: short stacking energy: -74.435
Base-Backbone interact. energy: 1.797
local terms energy: -81.989956
where:
bonds (distance) C4'-P energy: -18.825
bonds (distance) P-C4' energy: -18.339
flat angles C4'-P-C4' energy: -18.394
flat angles P-C4'-P energy: -10.162
tors. eta vs tors. theta energy: -16.269
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: 7, replica: 6
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -176.072610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.072610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.072610 (E_RNA)
where:
Base-Base interactions energy: -95.404
where: short stacking energy: -55.644
Base-Backbone interact. energy: 0.325
local terms energy: -80.993276
where:
bonds (distance) C4'-P energy: -18.654
bonds (distance) P-C4' energy: -20.214
flat angles C4'-P-C4' energy: -15.262
flat angles P-C4'-P energy: -13.267
tors. eta vs tors. theta energy: -13.596
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: 8, replica: 4
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -104.431315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.431315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.431315 (E_RNA)
where:
Base-Base interactions energy: -41.221
where: short stacking energy: -36.179
Base-Backbone interact. energy: -0.193
local terms energy: -63.017833
where:
bonds (distance) C4'-P energy: -18.436
bonds (distance) P-C4' energy: -20.408
flat angles C4'-P-C4' energy: -16.719
flat angles P-C4'-P energy: -2.314
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: 1
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -108.706365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.706365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.706365 (E_RNA)
where:
Base-Base interactions energy: -45.226
where: short stacking energy: -33.304
Base-Backbone interact. energy: 0.920
local terms energy: -64.400533
where:
bonds (distance) C4'-P energy: -23.092
bonds (distance) P-C4' energy: -13.549
flat angles C4'-P-C4' energy: -11.039
flat angles P-C4'-P energy: -12.454
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: 10, replica: 9
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -109.071021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.071021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.071021 (E_RNA)
where:
Base-Base interactions energy: -44.900
where: short stacking energy: -27.689
Base-Backbone interact. energy: -0.283
local terms energy: -63.888399
where:
bonds (distance) C4'-P energy: -14.167
bonds (distance) P-C4' energy: -23.564
flat angles C4'-P-C4' energy: -16.750
flat angles P-C4'-P energy: -4.389
tors. eta vs tors. theta energy: -5.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -331.529004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.529004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.529004 (E_RNA)
where:
Base-Base interactions energy: -224.176
where: short stacking energy: -93.358
Base-Backbone interact. energy: -0.166
local terms energy: -107.186825
where:
bonds (distance) C4'-P energy: -17.321
bonds (distance) P-C4' energy: -22.110
flat angles C4'-P-C4' energy: -23.118
flat angles P-C4'-P energy: -17.734
tors. eta vs tors. theta energy: -26.903
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: 7
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -319.357271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.357271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.357271 (E_RNA)
where:
Base-Base interactions energy: -219.263
where: short stacking energy: -93.754
Base-Backbone interact. energy: -0.518
local terms energy: -99.576912
where:
bonds (distance) C4'-P energy: -19.225
bonds (distance) P-C4' energy: -19.733
flat angles C4'-P-C4' energy: -19.619
flat angles P-C4'-P energy: -12.804
tors. eta vs tors. theta energy: -28.196
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: 10
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -278.495872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.495872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.495872 (E_RNA)
where:
Base-Base interactions energy: -186.911
where: short stacking energy: -78.288
Base-Backbone interact. energy: 0.024
local terms energy: -91.608959
where:
bonds (distance) C4'-P energy: -22.500
bonds (distance) P-C4' energy: -18.418
flat angles C4'-P-C4' energy: -18.211
flat angles P-C4'-P energy: -14.637
tors. eta vs tors. theta energy: -17.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -279.030248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.030248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.030248 (E_RNA)
where:
Base-Base interactions energy: -194.982
where: short stacking energy: -78.425
Base-Backbone interact. energy: -0.031
local terms energy: -84.016888
where:
bonds (distance) C4'-P energy: -15.653
bonds (distance) P-C4' energy: -19.117
flat angles C4'-P-C4' energy: -15.535
flat angles P-C4'-P energy: -12.023
tors. eta vs tors. theta energy: -21.690
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: 3
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -278.528866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.528866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.528866 (E_RNA)
where:
Base-Base interactions energy: -195.049
where: short stacking energy: -82.421
Base-Backbone interact. energy: -0.042
local terms energy: -83.438255
where:
bonds (distance) C4'-P energy: -12.735
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -16.746
flat angles P-C4'-P energy: -15.260
tors. eta vs tors. theta energy: -23.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -270.923048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.923048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.923048 (E_RNA)
where:
Base-Base interactions energy: -186.310
where: short stacking energy: -74.926
Base-Backbone interact. energy: -2.001
local terms energy: -82.611906
where:
bonds (distance) C4'-P energy: -15.789
bonds (distance) P-C4' energy: -19.319
flat angles C4'-P-C4' energy: -16.562
flat angles P-C4'-P energy: -11.409
tors. eta vs tors. theta energy: -19.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -174.096636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.096636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.096636 (E_RNA)
where:
Base-Base interactions energy: -97.046
where: short stacking energy: -50.358
Base-Backbone interact. energy: 0.715
local terms energy: -77.765155
where:
bonds (distance) C4'-P energy: -22.053
bonds (distance) P-C4' energy: -19.338
flat angles C4'-P-C4' energy: -16.787
flat angles P-C4'-P energy: -9.183
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: 8, replica: 4
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -124.239855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.239855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.239855 (E_RNA)
where:
Base-Base interactions energy: -61.973
where: short stacking energy: -45.952
Base-Backbone interact. energy: -0.172
local terms energy: -62.095354
where:
bonds (distance) C4'-P energy: -14.676
bonds (distance) P-C4' energy: -18.587
flat angles C4'-P-C4' energy: -17.615
flat angles P-C4'-P energy: -7.796
tors. eta vs tors. theta energy: -3.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -114.089107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.089107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.089107 (E_RNA)
where:
Base-Base interactions energy: -48.792
where: short stacking energy: -36.636
Base-Backbone interact. energy: -0.155
local terms energy: -65.141373
where:
bonds (distance) C4'-P energy: -16.821
bonds (distance) P-C4' energy: -19.548
flat angles C4'-P-C4' energy: -18.370
flat angles P-C4'-P energy: -7.331
tors. eta vs tors. theta energy: -3.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -103.942625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.942625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.942625 (E_RNA)
where:
Base-Base interactions energy: -37.620
where: short stacking energy: -37.620
Base-Backbone interact. energy: 1.003
local terms energy: -67.325546
where:
bonds (distance) C4'-P energy: -12.171
bonds (distance) P-C4' energy: -19.398
flat angles C4'-P-C4' energy: -19.869
flat angles P-C4'-P energy: -11.943
tors. eta vs tors. theta energy: -3.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -340.070254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.070254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.070254 (E_RNA)
where:
Base-Base interactions energy: -241.524
where: short stacking energy: -92.615
Base-Backbone interact. energy: -0.111
local terms energy: -98.435624
where:
bonds (distance) C4'-P energy: -19.804
bonds (distance) P-C4' energy: -17.233
flat angles C4'-P-C4' energy: -21.298
flat angles P-C4'-P energy: -12.274
tors. eta vs tors. theta energy: -27.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -329.702534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.702534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.702534 (E_RNA)
where:
Base-Base interactions energy: -225.954
where: short stacking energy: -96.622
Base-Backbone interact. energy: -0.736
local terms energy: -103.012550
where:
bonds (distance) C4'-P energy: -17.886
bonds (distance) P-C4' energy: -23.166
flat angles C4'-P-C4' energy: -21.144
flat angles P-C4'-P energy: -11.618
tors. eta vs tors. theta energy: -29.199
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: 10
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -271.593823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.593823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.593823 (E_RNA)
where:
Base-Base interactions energy: -184.067
where: short stacking energy: -71.867
Base-Backbone interact. energy: -0.389
local terms energy: -87.137462
where:
bonds (distance) C4'-P energy: -14.413
bonds (distance) P-C4' energy: -19.744
flat angles C4'-P-C4' energy: -22.865
flat angles P-C4'-P energy: -11.751
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: 4, replica: 3
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -289.438353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.438353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.438353 (E_RNA)
where:
Base-Base interactions energy: -191.645
where: short stacking energy: -80.799
Base-Backbone interact. energy: 0.889
local terms energy: -98.681537
where:
bonds (distance) C4'-P energy: -20.542
bonds (distance) P-C4' energy: -21.360
flat angles C4'-P-C4' energy: -21.273
flat angles P-C4'-P energy: -11.337
tors. eta vs tors. theta energy: -24.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -250.721925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.721925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.721925 (E_RNA)
where:
Base-Base interactions energy: -162.146
where: short stacking energy: -69.233
Base-Backbone interact. energy: 0.779
local terms energy: -89.355039
where:
bonds (distance) C4'-P energy: -17.796
bonds (distance) P-C4' energy: -19.203
flat angles C4'-P-C4' energy: -18.274
flat angles P-C4'-P energy: -13.449
tors. eta vs tors. theta energy: -20.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -265.211224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.211224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.211224 (E_RNA)
where:
Base-Base interactions energy: -176.149
where: short stacking energy: -80.752
Base-Backbone interact. energy: -0.428
local terms energy: -88.633565
where:
bonds (distance) C4'-P energy: -17.314
bonds (distance) P-C4' energy: -15.838
flat angles C4'-P-C4' energy: -21.012
flat angles P-C4'-P energy: -12.191
tors. eta vs tors. theta energy: -22.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -181.522055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.522055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.522055 (E_RNA)
where:
Base-Base interactions energy: -96.670
where: short stacking energy: -62.247
Base-Backbone interact. energy: -0.066
local terms energy: -84.786548
where:
bonds (distance) C4'-P energy: -20.514
bonds (distance) P-C4' energy: -16.601
flat angles C4'-P-C4' energy: -16.611
flat angles P-C4'-P energy: -14.510
tors. eta vs tors. theta energy: -16.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -124.124044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.124044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.124044 (E_RNA)
where:
Base-Base interactions energy: -68.184
where: short stacking energy: -26.735
Base-Backbone interact. energy: -1.794
local terms energy: -54.145962
where:
bonds (distance) C4'-P energy: -18.518
bonds (distance) P-C4' energy: -14.678
flat angles C4'-P-C4' energy: -11.544
flat angles P-C4'-P energy: -14.315
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: 9, replica: 4
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -95.928506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.928506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.928506 (E_RNA)
where:
Base-Base interactions energy: -40.604
where: short stacking energy: -27.847
Base-Backbone interact. energy: -0.307
local terms energy: -55.016995
where:
bonds (distance) C4'-P energy: -8.753
bonds (distance) P-C4' energy: -17.328
flat angles C4'-P-C4' energy: -19.439
flat angles P-C4'-P energy: -10.666
tors. eta vs tors. theta energy: 1.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -121.970719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.970719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.970719 (E_RNA)
where:
Base-Base interactions energy: -58.893
where: short stacking energy: -37.504
Base-Backbone interact. energy: -0.225
local terms energy: -62.852007
where:
bonds (distance) C4'-P energy: -14.423
bonds (distance) P-C4' energy: -17.121
flat angles C4'-P-C4' energy: -18.668
flat angles P-C4'-P energy: -7.580
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: 1, replica: 2
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -331.473172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.473172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.473172 (E_RNA)
where:
Base-Base interactions energy: -237.520
where: short stacking energy: -95.917
Base-Backbone interact. energy: 1.464
local terms energy: -95.416620
where:
bonds (distance) C4'-P energy: -19.347
bonds (distance) P-C4' energy: -20.706
flat angles C4'-P-C4' energy: -18.750
flat angles P-C4'-P energy: -12.166
tors. eta vs tors. theta energy: -24.446
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: 7
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -327.302108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.302108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.302108 (E_RNA)
where:
Base-Base interactions energy: -218.987
where: short stacking energy: -100.685
Base-Backbone interact. energy: -0.094
local terms energy: -108.221273
where:
bonds (distance) C4'-P energy: -21.027
bonds (distance) P-C4' energy: -24.772
flat angles C4'-P-C4' energy: -17.680
flat angles P-C4'-P energy: -16.972
tors. eta vs tors. theta energy: -27.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -289.635560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.635560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.635560 (E_RNA)
where:
Base-Base interactions energy: -202.405
where: short stacking energy: -84.966
Base-Backbone interact. energy: -0.482
local terms energy: -86.748337
where:
bonds (distance) C4'-P energy: -19.291
bonds (distance) P-C4' energy: -18.427
flat angles C4'-P-C4' energy: -20.627
flat angles P-C4'-P energy: -11.755
tors. eta vs tors. theta energy: -16.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -288.946979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.946979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.946979 (E_RNA)
where:
Base-Base interactions energy: -195.894
where: short stacking energy: -77.407
Base-Backbone interact. energy: -1.220
local terms energy: -91.833281
where:
bonds (distance) C4'-P energy: -21.636
bonds (distance) P-C4' energy: -16.824
flat angles C4'-P-C4' energy: -21.336
flat angles P-C4'-P energy: -12.652
tors. eta vs tors. theta energy: -19.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -251.351517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.351517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.351517 (E_RNA)
where:
Base-Base interactions energy: -166.663
where: short stacking energy: -72.482
Base-Backbone interact. energy: -0.156
local terms energy: -84.532440
where:
bonds (distance) C4'-P energy: -17.395
bonds (distance) P-C4' energy: -16.757
flat angles C4'-P-C4' energy: -21.100
flat angles P-C4'-P energy: -13.874
tors. eta vs tors. theta energy: -15.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -266.583568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.583568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.583568 (E_RNA)
where:
Base-Base interactions energy: -177.881
where: short stacking energy: -79.607
Base-Backbone interact. energy: 0.344
local terms energy: -89.046311
where:
bonds (distance) C4'-P energy: -16.146
bonds (distance) P-C4' energy: -17.608
flat angles C4'-P-C4' energy: -18.808
flat angles P-C4'-P energy: -10.081
tors. eta vs tors. theta energy: -26.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -167.866535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.866535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.866535 (E_RNA)
where:
Base-Base interactions energy: -94.669
where: short stacking energy: -55.662
Base-Backbone interact. energy: -0.095
local terms energy: -73.103153
where:
bonds (distance) C4'-P energy: -19.225
bonds (distance) P-C4' energy: -14.128
flat angles C4'-P-C4' energy: -20.437
flat angles P-C4'-P energy: -11.496
tors. eta vs tors. theta energy: -7.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -107.613258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.613258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.613258 (E_RNA)
where:
Base-Base interactions energy: -34.130
where: short stacking energy: -28.700
Base-Backbone interact. energy: 0.006
local terms energy: -73.489141
where:
bonds (distance) C4'-P energy: -20.166
bonds (distance) P-C4' energy: -21.497
flat angles C4'-P-C4' energy: -16.046
flat angles P-C4'-P energy: -11.594
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: 1
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -103.425164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.425164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.425164 (E_RNA)
where:
Base-Base interactions energy: -29.843
where: short stacking energy: -28.770
Base-Backbone interact. energy: -0.101
local terms energy: -73.481121
where:
bonds (distance) C4'-P energy: -16.005
bonds (distance) P-C4' energy: -19.312
flat angles C4'-P-C4' energy: -18.530
flat angles P-C4'-P energy: -13.808
tors. eta vs tors. theta energy: -5.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -106.549400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.549400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.549400 (E_RNA)
where:
Base-Base interactions energy: -48.396
where: short stacking energy: -26.412
Base-Backbone interact. energy: 0.329
local terms energy: -58.481652
where:
bonds (distance) C4'-P energy: -14.415
bonds (distance) P-C4' energy: -15.837
flat angles C4'-P-C4' energy: -15.496
flat angles P-C4'-P energy: -13.025
tors. eta vs tors. theta energy: 0.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -329.251926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.251926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.251926 (E_RNA)
where:
Base-Base interactions energy: -229.311
where: short stacking energy: -99.259
Base-Backbone interact. energy: 0.250
local terms energy: -100.190664
where:
bonds (distance) C4'-P energy: -19.736
bonds (distance) P-C4' energy: -18.622
flat angles C4'-P-C4' energy: -21.257
flat angles P-C4'-P energy: -11.228
tors. eta vs tors. theta energy: -29.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -332.780509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.780509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.780509 (E_RNA)
where:
Base-Base interactions energy: -229.444
where: short stacking energy: -98.811
Base-Backbone interact. energy: 0.673
local terms energy: -104.009452
where:
bonds (distance) C4'-P energy: -16.084
bonds (distance) P-C4' energy: -21.539
flat angles C4'-P-C4' energy: -23.177
flat angles P-C4'-P energy: -11.927
tors. eta vs tors. theta energy: -31.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -290.658888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.658888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.658888 (E_RNA)
where:
Base-Base interactions energy: -197.625
where: short stacking energy: -69.604
Base-Backbone interact. energy: -0.878
local terms energy: -92.155986
where:
bonds (distance) C4'-P energy: -20.493
bonds (distance) P-C4' energy: -21.943
flat angles C4'-P-C4' energy: -16.715
flat angles P-C4'-P energy: -12.076
tors. eta vs tors. theta energy: -20.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -275.752273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.752273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.752273 (E_RNA)
where:
Base-Base interactions energy: -184.987
where: short stacking energy: -78.531
Base-Backbone interact. energy: 0.306
local terms energy: -91.071168
where:
bonds (distance) C4'-P energy: -13.244
bonds (distance) P-C4' energy: -19.024
flat angles C4'-P-C4' energy: -22.316
flat angles P-C4'-P energy: -14.599
tors. eta vs tors. theta energy: -21.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -277.027995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.027995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.027995 (E_RNA)
where:
Base-Base interactions energy: -184.628
where: short stacking energy: -82.641
Base-Backbone interact. energy: -0.888
local terms energy: -91.512005
where:
bonds (distance) C4'-P energy: -18.080
bonds (distance) P-C4' energy: -18.322
flat angles C4'-P-C4' energy: -20.540
flat angles P-C4'-P energy: -11.248
tors. eta vs tors. theta energy: -23.323
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: 6, replica: 5
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -256.531086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.531086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.531086 (E_RNA)
where:
Base-Base interactions energy: -169.330
where: short stacking energy: -71.165
Base-Backbone interact. energy: -0.321
local terms energy: -86.879516
where:
bonds (distance) C4'-P energy: -18.474
bonds (distance) P-C4' energy: -18.486
flat angles C4'-P-C4' energy: -17.280
flat angles P-C4'-P energy: -16.073
tors. eta vs tors. theta energy: -16.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -207.955043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.955043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.955043 (E_RNA)
where:
Base-Base interactions energy: -138.488
where: short stacking energy: -50.708
Base-Backbone interact. energy: 2.161
local terms energy: -71.627724
where:
bonds (distance) C4'-P energy: -18.642
bonds (distance) P-C4' energy: -13.596
flat angles C4'-P-C4' energy: -17.721
flat angles P-C4'-P energy: -14.057
tors. eta vs tors. theta energy: -7.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -109.767617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.767617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.767617 (E_RNA)
where:
Base-Base interactions energy: -44.847
where: short stacking energy: -37.867
Base-Backbone interact. energy: 0.353
local terms energy: -65.273749
where:
bonds (distance) C4'-P energy: -13.584
bonds (distance) P-C4' energy: -19.622
flat angles C4'-P-C4' energy: -18.232
flat angles P-C4'-P energy: -9.121
tors. eta vs tors. theta energy: -4.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -105.422866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.422866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.422866 (E_RNA)
where:
Base-Base interactions energy: -46.001
where: short stacking energy: -34.754
Base-Backbone interact. energy: 0.323
local terms energy: -59.744517
where:
bonds (distance) C4'-P energy: -17.416
bonds (distance) P-C4' energy: -18.131
flat angles C4'-P-C4' energy: -18.770
flat angles P-C4'-P energy: -3.531
tors. eta vs tors. theta energy: -1.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -129.433221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.433221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.433221 (E_RNA)
where:
Base-Base interactions energy: -51.009
where: short stacking energy: -50.901
Base-Backbone interact. energy: 1.106
local terms energy: -79.530236
where:
bonds (distance) C4'-P energy: -16.315
bonds (distance) P-C4' energy: -19.926
flat angles C4'-P-C4' energy: -23.720
flat angles P-C4'-P energy: -10.722
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: 1, replica: 7
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -328.329375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.329375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.329375 (E_RNA)
where:
Base-Base interactions energy: -221.660
where: short stacking energy: -96.529
Base-Backbone interact. energy: 0.357
local terms energy: -107.025917
where:
bonds (distance) C4'-P energy: -22.392
bonds (distance) P-C4' energy: -15.818
flat angles C4'-P-C4' energy: -24.208
flat angles P-C4'-P energy: -16.598
tors. eta vs tors. theta energy: -28.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -321.097771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.097771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.097771 (E_RNA)
where:
Base-Base interactions energy: -217.275
where: short stacking energy: -92.756
Base-Backbone interact. energy: -0.852
local terms energy: -102.971188
where:
bonds (distance) C4'-P energy: -17.807
bonds (distance) P-C4' energy: -21.884
flat angles C4'-P-C4' energy: -19.784
flat angles P-C4'-P energy: -16.693
tors. eta vs tors. theta energy: -26.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -285.847176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.847176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.847176 (E_RNA)
where:
Base-Base interactions energy: -198.275
where: short stacking energy: -73.302
Base-Backbone interact. energy: -0.633
local terms energy: -86.938997
where:
bonds (distance) C4'-P energy: -17.772
bonds (distance) P-C4' energy: -19.316
flat angles C4'-P-C4' energy: -16.487
flat angles P-C4'-P energy: -14.758
tors. eta vs tors. theta energy: -18.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -292.514070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.514070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.514070 (E_RNA)
where:
Base-Base interactions energy: -191.668
where: short stacking energy: -80.747
Base-Backbone interact. energy: -0.019
local terms energy: -100.827448
where:
bonds (distance) C4'-P energy: -22.637
bonds (distance) P-C4' energy: -18.790
flat angles C4'-P-C4' energy: -22.734
flat angles P-C4'-P energy: -15.222
tors. eta vs tors. theta energy: -21.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -285.750918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.750918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.750918 (E_RNA)
where:
Base-Base interactions energy: -187.495
where: short stacking energy: -84.124
Base-Backbone interact. energy: -0.596
local terms energy: -97.659991
where:
bonds (distance) C4'-P energy: -18.978
bonds (distance) P-C4' energy: -22.313
flat angles C4'-P-C4' energy: -18.623
flat angles P-C4'-P energy: -13.987
tors. eta vs tors. theta energy: -23.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -280.178669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.178669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.178669 (E_RNA)
where:
Base-Base interactions energy: -191.805
where: short stacking energy: -71.739
Base-Backbone interact. energy: 1.637
local terms energy: -90.010437
where:
bonds (distance) C4'-P energy: -19.041
bonds (distance) P-C4' energy: -22.621
flat angles C4'-P-C4' energy: -13.235
flat angles P-C4'-P energy: -8.822
tors. eta vs tors. theta energy: -26.292
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: 6
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -226.557351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.557351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.557351 (E_RNA)
where:
Base-Base interactions energy: -151.165
where: short stacking energy: -55.000
Base-Backbone interact. energy: -1.050
local terms energy: -74.342536
where:
bonds (distance) C4'-P energy: -19.211
bonds (distance) P-C4' energy: -17.784
flat angles C4'-P-C4' energy: -15.361
flat angles P-C4'-P energy: -10.147
tors. eta vs tors. theta energy: -11.839
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: 1
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -130.274166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.274166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.274166 (E_RNA)
where:
Base-Base interactions energy: -53.276
where: short stacking energy: -53.276
Base-Backbone interact. energy: -0.135
local terms energy: -76.863215
where:
bonds (distance) C4'-P energy: -19.322
bonds (distance) P-C4' energy: -15.470
flat angles C4'-P-C4' energy: -19.968
flat angles P-C4'-P energy: -11.104
tors. eta vs tors. theta energy: -10.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -103.185549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.185549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.185549 (E_RNA)
where:
Base-Base interactions energy: -34.252
where: short stacking energy: -33.508
Base-Backbone interact. energy: -0.092
local terms energy: -68.841788
where:
bonds (distance) C4'-P energy: -16.646
bonds (distance) P-C4' energy: -15.335
flat angles C4'-P-C4' energy: -20.722
flat angles P-C4'-P energy: -10.983
tors. eta vs tors. theta energy: -5.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -96.001644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.001644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.001644 (E_RNA)
where:
Base-Base interactions energy: -33.802
where: short stacking energy: -27.571
Base-Backbone interact. energy: -0.306
local terms energy: -61.893653
where:
bonds (distance) C4'-P energy: -11.173
bonds (distance) P-C4' energy: -14.428
flat angles C4'-P-C4' energy: -18.676
flat angles P-C4'-P energy: -13.553
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: 1, replica: 7
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -338.909741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.909741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.909741 (E_RNA)
where:
Base-Base interactions energy: -231.518
where: short stacking energy: -102.521
Base-Backbone interact. energy: -0.118
local terms energy: -107.273321
where:
bonds (distance) C4'-P energy: -19.259
bonds (distance) P-C4' energy: -20.055
flat angles C4'-P-C4' energy: -22.921
flat angles P-C4'-P energy: -15.251
tors. eta vs tors. theta energy: -29.787
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: 2, replica: 2
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -324.813941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.813941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.813941 (E_RNA)
where:
Base-Base interactions energy: -231.387
where: short stacking energy: -94.603
Base-Backbone interact. energy: -0.488
local terms energy: -92.938139
where:
bonds (distance) C4'-P energy: -15.720
bonds (distance) P-C4' energy: -19.758
flat angles C4'-P-C4' energy: -21.410
flat angles P-C4'-P energy: -9.816
tors. eta vs tors. theta energy: -26.233
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: 10
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -287.231419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.231419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.231419 (E_RNA)
where:
Base-Base interactions energy: -193.078
where: short stacking energy: -74.144
Base-Backbone interact. energy: -0.100
local terms energy: -94.053807
where:
bonds (distance) C4'-P energy: -17.426
bonds (distance) P-C4' energy: -21.761
flat angles C4'-P-C4' energy: -20.137
flat angles P-C4'-P energy: -15.490
tors. eta vs tors. theta energy: -19.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -290.274306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.274306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.274306 (E_RNA)
where:
Base-Base interactions energy: -199.041
where: short stacking energy: -89.884
Base-Backbone interact. energy: 0.497
local terms energy: -91.729871
where:
bonds (distance) C4'-P energy: -18.181
bonds (distance) P-C4' energy: -19.823
flat angles C4'-P-C4' energy: -22.252
flat angles P-C4'-P energy: -10.965
tors. eta vs tors. theta energy: -20.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -238.899742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.899742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.899742 (E_RNA)
where:
Base-Base interactions energy: -162.830
where: short stacking energy: -58.438
Base-Backbone interact. energy: -1.398
local terms energy: -74.671671
where:
bonds (distance) C4'-P energy: -17.092
bonds (distance) P-C4' energy: -15.331
flat angles C4'-P-C4' energy: -19.972
flat angles P-C4'-P energy: -9.309
tors. eta vs tors. theta energy: -12.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -267.349055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.349055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.349055 (E_RNA)
where:
Base-Base interactions energy: -181.240
where: short stacking energy: -77.463
Base-Backbone interact. energy: -0.093
local terms energy: -86.016910
where:
bonds (distance) C4'-P energy: -13.806
bonds (distance) P-C4' energy: -19.154
flat angles C4'-P-C4' energy: -19.280
flat angles P-C4'-P energy: -7.925
tors. eta vs tors. theta energy: -25.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -253.093289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.093289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.093289 (E_RNA)
where:
Base-Base interactions energy: -174.011
where: short stacking energy: -71.843
Base-Backbone interact. energy: -0.413
local terms energy: -78.668916
where:
bonds (distance) C4'-P energy: -16.410
bonds (distance) P-C4' energy: -17.865
flat angles C4'-P-C4' energy: -17.498
flat angles P-C4'-P energy: -12.034
tors. eta vs tors. theta energy: -14.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -118.729907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.729907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.729907 (E_RNA)
where:
Base-Base interactions energy: -50.937
where: short stacking energy: -50.937
Base-Backbone interact. energy: 0.181
local terms energy: -67.973504
where:
bonds (distance) C4'-P energy: -16.063
bonds (distance) P-C4' energy: -19.167
flat angles C4'-P-C4' energy: -17.265
flat angles P-C4'-P energy: -10.337
tors. eta vs tors. theta energy: -5.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -108.296178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.296178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.296178 (E_RNA)
where:
Base-Base interactions energy: -35.928
where: short stacking energy: -35.928
Base-Backbone interact. energy: -0.122
local terms energy: -72.246096
where:
bonds (distance) C4'-P energy: -16.991
bonds (distance) P-C4' energy: -23.737
flat angles C4'-P-C4' energy: -15.779
flat angles P-C4'-P energy: -9.657
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: 9
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -100.676971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.676971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.676971 (E_RNA)
where:
Base-Base interactions energy: -43.788
where: short stacking energy: -28.612
Base-Backbone interact. energy: -0.451
local terms energy: -56.437575
where:
bonds (distance) C4'-P energy: -17.408
bonds (distance) P-C4' energy: -20.709
flat angles C4'-P-C4' energy: -17.148
flat angles P-C4'-P energy: -3.876
tors. eta vs tors. theta energy: 2.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -332.872244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.872244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.872244 (E_RNA)
where:
Base-Base interactions energy: -226.214
where: short stacking energy: -101.014
Base-Backbone interact. energy: -0.098
local terms energy: -106.559746
where:
bonds (distance) C4'-P energy: -18.634
bonds (distance) P-C4' energy: -21.414
flat angles C4'-P-C4' energy: -21.831
flat angles P-C4'-P energy: -16.806
tors. eta vs tors. theta energy: -27.874
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: 2, replica: 7
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -322.714057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.714057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.714057 (E_RNA)
where:
Base-Base interactions energy: -219.717
where: short stacking energy: -90.826
Base-Backbone interact. energy: -0.138
local terms energy: -102.858737
where:
bonds (distance) C4'-P energy: -20.037
bonds (distance) P-C4' energy: -19.046
flat angles C4'-P-C4' energy: -22.042
flat angles P-C4'-P energy: -18.003
tors. eta vs tors. theta energy: -23.731
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: 3, replica: 3
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -295.210725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.210725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.210725 (E_RNA)
where:
Base-Base interactions energy: -203.449
where: short stacking energy: -85.905
Base-Backbone interact. energy: -0.101
local terms energy: -91.660906
where:
bonds (distance) C4'-P energy: -18.246
bonds (distance) P-C4' energy: -20.641
flat angles C4'-P-C4' energy: -23.690
flat angles P-C4'-P energy: -6.171
tors. eta vs tors. theta energy: -22.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -282.505433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.505433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.505433 (E_RNA)
where:
Base-Base interactions energy: -192.110
where: short stacking energy: -79.529
Base-Backbone interact. energy: -1.414
local terms energy: -88.981556
where:
bonds (distance) C4'-P energy: -19.533
bonds (distance) P-C4' energy: -19.835
flat angles C4'-P-C4' energy: -16.455
flat angles P-C4'-P energy: -9.954
tors. eta vs tors. theta energy: -23.205
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: 5
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -275.979581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.979581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.979581 (E_RNA)
where:
Base-Base interactions energy: -174.052
where: short stacking energy: -72.329
Base-Backbone interact. energy: -0.860
local terms energy: -101.067898
where:
bonds (distance) C4'-P energy: -15.633
bonds (distance) P-C4' energy: -20.347
flat angles C4'-P-C4' energy: -22.204
flat angles P-C4'-P energy: -17.185
tors. eta vs tors. theta energy: -25.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -240.200263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.200263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.200263 (E_RNA)
where:
Base-Base interactions energy: -152.183
where: short stacking energy: -71.827
Base-Backbone interact. energy: 2.640
local terms energy: -90.657128
where:
bonds (distance) C4'-P energy: -18.521
bonds (distance) P-C4' energy: -19.742
flat angles C4'-P-C4' energy: -22.123
flat angles P-C4'-P energy: -12.797
tors. eta vs tors. theta energy: -17.474
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: 6
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -220.197534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.197534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.197534 (E_RNA)
where:
Base-Base interactions energy: -151.626
where: short stacking energy: -59.326
Base-Backbone interact. energy: -1.386
local terms energy: -67.184826
where:
bonds (distance) C4'-P energy: -14.498
bonds (distance) P-C4' energy: -9.703
flat angles C4'-P-C4' energy: -16.821
flat angles P-C4'-P energy: -13.282
tors. eta vs tors. theta energy: -12.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -109.955324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.955324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.955324 (E_RNA)
where:
Base-Base interactions energy: -41.085
where: short stacking energy: -37.212
Base-Backbone interact. energy: 1.549
local terms energy: -70.419425
where:
bonds (distance) C4'-P energy: -20.363
bonds (distance) P-C4' energy: -15.613
flat angles C4'-P-C4' energy: -17.302
flat angles P-C4'-P energy: -8.562
tors. eta vs tors. theta energy: -8.579
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: 250
Temperature: 1.300000
Total energy: -118.567163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.567163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.567163 (E_RNA)
where:
Base-Base interactions energy: -45.201
where: short stacking energy: -41.130
Base-Backbone interact. energy: -0.091
local terms energy: -73.274360
where:
bonds (distance) C4'-P energy: -18.240
bonds (distance) P-C4' energy: -20.205
flat angles C4'-P-C4' energy: -18.636
flat angles P-C4'-P energy: -11.461
tors. eta vs tors. theta energy: -4.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -108.150645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.150645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.150645 (E_RNA)
where:
Base-Base interactions energy: -46.821
where: short stacking energy: -42.968
Base-Backbone interact. energy: 0.193
local terms energy: -61.522097
where:
bonds (distance) C4'-P energy: -19.280
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -14.499
flat angles P-C4'-P energy: -8.663
tors. eta vs tors. theta energy: -3.871
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: 2
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -333.443804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.443804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.443804 (E_RNA)
where:
Base-Base interactions energy: -226.522
where: short stacking energy: -103.110
Base-Backbone interact. energy: -0.214
local terms energy: -106.707988
where:
bonds (distance) C4'-P energy: -20.456
bonds (distance) P-C4' energy: -23.790
flat angles C4'-P-C4' energy: -20.782
flat angles P-C4'-P energy: -17.239
tors. eta vs tors. theta energy: -24.441
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: 7
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -325.035414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.035414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.035414 (E_RNA)
where:
Base-Base interactions energy: -222.599
where: short stacking energy: -102.031
Base-Backbone interact. energy: -0.732
local terms energy: -101.704512
where:
bonds (distance) C4'-P energy: -17.313
bonds (distance) P-C4' energy: -17.652
flat angles C4'-P-C4' energy: -21.960
flat angles P-C4'-P energy: -16.782
tors. eta vs tors. theta energy: -27.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -303.474130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.474130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.474130 (E_RNA)
where:
Base-Base interactions energy: -199.861
where: short stacking energy: -86.122
Base-Backbone interact. energy: -0.380
local terms energy: -103.233148
where:
bonds (distance) C4'-P energy: -20.418
bonds (distance) P-C4' energy: -21.101
flat angles C4'-P-C4' energy: -20.995
flat angles P-C4'-P energy: -16.800
tors. eta vs tors. theta energy: -23.919
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: 5
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -300.911421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.911421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.911421 (E_RNA)
where:
Base-Base interactions energy: -210.124
where: short stacking energy: -90.720
Base-Backbone interact. energy: -0.073
local terms energy: -90.715166
where:
bonds (distance) C4'-P energy: -18.182
bonds (distance) P-C4' energy: -13.655
flat angles C4'-P-C4' energy: -20.520
flat angles P-C4'-P energy: -13.721
tors. eta vs tors. theta energy: -24.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -291.549380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.549380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.549380 (E_RNA)
where:
Base-Base interactions energy: -197.693
where: short stacking energy: -69.927
Base-Backbone interact. energy: -0.049
local terms energy: -93.807469
where:
bonds (distance) C4'-P energy: -21.405
bonds (distance) P-C4' energy: -18.893
flat angles C4'-P-C4' energy: -20.146
flat angles P-C4'-P energy: -13.930
tors. eta vs tors. theta energy: -19.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -239.293313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.293313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.293313 (E_RNA)
where:
Base-Base interactions energy: -155.822
where: short stacking energy: -71.701
Base-Backbone interact. energy: -0.128
local terms energy: -83.343585
where:
bonds (distance) C4'-P energy: -16.811
bonds (distance) P-C4' energy: -18.186
flat angles C4'-P-C4' energy: -17.067
flat angles P-C4'-P energy: -12.791
tors. eta vs tors. theta energy: -18.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -234.695275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.695275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.695275 (E_RNA)
where:
Base-Base interactions energy: -168.730
where: short stacking energy: -72.508
Base-Backbone interact. energy: -1.276
local terms energy: -64.689049
where:
bonds (distance) C4'-P energy: -11.848
bonds (distance) P-C4' energy: -11.127
flat angles C4'-P-C4' energy: -13.772
flat angles P-C4'-P energy: -10.003
tors. eta vs tors. theta energy: -17.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -122.713957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.713957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.713957 (E_RNA)
where:
Base-Base interactions energy: -49.129
where: short stacking energy: -49.129
Base-Backbone interact. energy: -0.349
local terms energy: -73.236430
where:
bonds (distance) C4'-P energy: -11.394
bonds (distance) P-C4' energy: -22.045
flat angles C4'-P-C4' energy: -19.932
flat angles P-C4'-P energy: -12.042
tors. eta vs tors. theta energy: -7.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -110.471947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.471947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.471947 (E_RNA)
where:
Base-Base interactions energy: -59.344
where: short stacking energy: -44.663
Base-Backbone interact. energy: 2.539
local terms energy: -53.667114
where:
bonds (distance) C4'-P energy: -17.483
bonds (distance) P-C4' energy: -13.816
flat angles C4'-P-C4' energy: -6.610
flat angles P-C4'-P energy: -10.549
tors. eta vs tors. theta energy: -5.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -102.350841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.350841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.350841 (E_RNA)
where:
Base-Base interactions energy: -35.313
where: short stacking energy: -35.313
Base-Backbone interact. energy: -0.127
local terms energy: -66.910264
where:
bonds (distance) C4'-P energy: -17.653
bonds (distance) P-C4' energy: -20.469
flat angles C4'-P-C4' energy: -12.424
flat angles P-C4'-P energy: -8.254
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: 1, replica: 2
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -332.071458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.071458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.071458 (E_RNA)
where:
Base-Base interactions energy: -223.541
where: short stacking energy: -98.444
Base-Backbone interact. energy: 0.538
local terms energy: -109.068204
where:
bonds (distance) C4'-P energy: -21.151
bonds (distance) P-C4' energy: -20.430
flat angles C4'-P-C4' energy: -20.234
flat angles P-C4'-P energy: -16.763
tors. eta vs tors. theta energy: -30.489
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: 7
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -338.845200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.845200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.845200 (E_RNA)
where:
Base-Base interactions energy: -233.905
where: short stacking energy: -92.261
Base-Backbone interact. energy: -0.485
local terms energy: -104.454686
where:
bonds (distance) C4'-P energy: -22.744
bonds (distance) P-C4' energy: -18.621
flat angles C4'-P-C4' energy: -22.369
flat angles P-C4'-P energy: -11.692
tors. eta vs tors. theta energy: -29.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -313.121014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.121014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.121014 (E_RNA)
where:
Base-Base interactions energy: -211.509
where: short stacking energy: -88.743
Base-Backbone interact. energy: -0.603
local terms energy: -101.009196
where:
bonds (distance) C4'-P energy: -21.190
bonds (distance) P-C4' energy: -20.894
flat angles C4'-P-C4' energy: -21.686
flat angles P-C4'-P energy: -10.170
tors. eta vs tors. theta energy: -27.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -288.724793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.724793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.724793 (E_RNA)
where:
Base-Base interactions energy: -197.140
where: short stacking energy: -92.762
Base-Backbone interact. energy: -0.174
local terms energy: -91.410841
where:
bonds (distance) C4'-P energy: -19.765
bonds (distance) P-C4' energy: -14.935
flat angles C4'-P-C4' energy: -17.044
flat angles P-C4'-P energy: -13.642
tors. eta vs tors. theta energy: -26.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -290.615998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.615998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.615998 (E_RNA)
where:
Base-Base interactions energy: -207.871
where: short stacking energy: -76.919
Base-Backbone interact. energy: -0.088
local terms energy: -82.657042
where:
bonds (distance) C4'-P energy: -21.643
bonds (distance) P-C4' energy: -16.988
flat angles C4'-P-C4' energy: -15.809
flat angles P-C4'-P energy: -6.763
tors. eta vs tors. theta energy: -21.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -250.528848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.528848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.528848 (E_RNA)
where:
Base-Base interactions energy: -167.821
where: short stacking energy: -64.078
Base-Backbone interact. energy: -0.186
local terms energy: -82.521528
where:
bonds (distance) C4'-P energy: -19.777
bonds (distance) P-C4' energy: -12.526
flat angles C4'-P-C4' energy: -21.163
flat angles P-C4'-P energy: -14.236
tors. eta vs tors. theta energy: -14.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -252.584518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.584518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.584518 (E_RNA)
where:
Base-Base interactions energy: -170.620
where: short stacking energy: -64.363
Base-Backbone interact. energy: -0.412
local terms energy: -81.552657
where:
bonds (distance) C4'-P energy: -18.477
bonds (distance) P-C4' energy: -18.500
flat angles C4'-P-C4' energy: -18.292
flat angles P-C4'-P energy: -14.111
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: 8, replica: 9
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -136.604994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.604994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.604994 (E_RNA)
where:
Base-Base interactions energy: -84.753
where: short stacking energy: -40.859
Base-Backbone interact. energy: -0.192
local terms energy: -51.659727
where:
bonds (distance) C4'-P energy: -18.642
bonds (distance) P-C4' energy: -13.130
flat angles C4'-P-C4' energy: -9.123
flat angles P-C4'-P energy: -8.160
tors. eta vs tors. theta energy: -2.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -109.300863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.300863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.300863 (E_RNA)
where:
Base-Base interactions energy: -43.557
where: short stacking energy: -38.919
Base-Backbone interact. energy: -0.519
local terms energy: -65.225075
where:
bonds (distance) C4'-P energy: -16.720
bonds (distance) P-C4' energy: -12.356
flat angles C4'-P-C4' energy: -17.706
flat angles P-C4'-P energy: -10.706
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: 252
Temperature: 1.350000
Total energy: -98.121578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.121578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.121578 (E_RNA)
where:
Base-Base interactions energy: -47.130
where: short stacking energy: -29.827
Base-Backbone interact. energy: -0.437
local terms energy: -50.553763
where:
bonds (distance) C4'-P energy: -19.798
bonds (distance) P-C4' energy: -15.803
flat angles C4'-P-C4' energy: -13.708
flat angles P-C4'-P energy: -1.876
tors. eta vs tors. theta energy: 0.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -333.770968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.770968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.770968 (E_RNA)
where:
Base-Base interactions energy: -229.236
where: short stacking energy: -103.408
Base-Backbone interact. energy: 0.396
local terms energy: -104.930964
where:
bonds (distance) C4'-P energy: -16.089
bonds (distance) P-C4' energy: -21.485
flat angles C4'-P-C4' energy: -24.372
flat angles P-C4'-P energy: -15.157
tors. eta vs tors. theta energy: -27.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -326.853410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.853410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.853410 (E_RNA)
where:
Base-Base interactions energy: -227.301
where: short stacking energy: -98.448
Base-Backbone interact. energy: -0.299
local terms energy: -99.253433
where:
bonds (distance) C4'-P energy: -21.420
bonds (distance) P-C4' energy: -19.874
flat angles C4'-P-C4' energy: -20.988
flat angles P-C4'-P energy: -9.307
tors. eta vs tors. theta energy: -27.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -308.866428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.866428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.866428 (E_RNA)
where:
Base-Base interactions energy: -212.282
where: short stacking energy: -87.601
Base-Backbone interact. energy: -0.069
local terms energy: -96.515093
where:
bonds (distance) C4'-P energy: -16.578
bonds (distance) P-C4' energy: -19.154
flat angles C4'-P-C4' energy: -22.189
flat angles P-C4'-P energy: -12.754
tors. eta vs tors. theta energy: -25.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -286.216145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.216145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.216145 (E_RNA)
where:
Base-Base interactions energy: -193.711
where: short stacking energy: -83.054
Base-Backbone interact. energy: 1.331
local terms energy: -93.835414
where:
bonds (distance) C4'-P energy: -19.867
bonds (distance) P-C4' energy: -16.071
flat angles C4'-P-C4' energy: -18.143
flat angles P-C4'-P energy: -16.261
tors. eta vs tors. theta energy: -23.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -271.694689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.694689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.694689 (E_RNA)
where:
Base-Base interactions energy: -193.866
where: short stacking energy: -81.694
Base-Backbone interact. energy: -0.266
local terms energy: -77.563099
where:
bonds (distance) C4'-P energy: -14.061
bonds (distance) P-C4' energy: -19.179
flat angles C4'-P-C4' energy: -13.865
flat angles P-C4'-P energy: -6.495
tors. eta vs tors. theta energy: -23.963
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: 8
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -257.789965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.789965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.789965 (E_RNA)
where:
Base-Base interactions energy: -174.144
where: short stacking energy: -68.306
Base-Backbone interact. energy: 0.112
local terms energy: -83.757934
where:
bonds (distance) C4'-P energy: -11.616
bonds (distance) P-C4' energy: -18.912
flat angles C4'-P-C4' energy: -19.990
flat angles P-C4'-P energy: -14.518
tors. eta vs tors. theta energy: -18.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -243.325155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.325155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.325155 (E_RNA)
where:
Base-Base interactions energy: -158.200
where: short stacking energy: -71.442
Base-Backbone interact. energy: -0.008
local terms energy: -85.117956
where:
bonds (distance) C4'-P energy: -17.934
bonds (distance) P-C4' energy: -19.668
flat angles C4'-P-C4' energy: -18.818
flat angles P-C4'-P energy: -9.307
tors. eta vs tors. theta energy: -19.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -123.993890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.993890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.993890 (E_RNA)
where:
Base-Base interactions energy: -59.065
where: short stacking energy: -21.634
Base-Backbone interact. energy: -0.215
local terms energy: -64.713975
where:
bonds (distance) C4'-P energy: -16.299
bonds (distance) P-C4' energy: -19.521
flat angles C4'-P-C4' energy: -20.270
flat angles P-C4'-P energy: -6.938
tors. eta vs tors. theta energy: -1.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -114.758180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.758180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.758180 (E_RNA)
where:
Base-Base interactions energy: -50.066
where: short stacking energy: -40.249
Base-Backbone interact. energy: -0.598
local terms energy: -64.093903
where:
bonds (distance) C4'-P energy: -17.438
bonds (distance) P-C4' energy: -14.742
flat angles C4'-P-C4' energy: -17.941
flat angles P-C4'-P energy: -8.277
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: 10, replica: 4
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -114.565752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.565752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.565752 (E_RNA)
where:
Base-Base interactions energy: -46.946
where: short stacking energy: -38.961
Base-Backbone interact. energy: -0.327
local terms energy: -67.292311
where:
bonds (distance) C4'-P energy: -16.294
bonds (distance) P-C4' energy: -21.715
flat angles C4'-P-C4' energy: -16.845
flat angles P-C4'-P energy: -5.675
tors. eta vs tors. theta energy: -6.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -326.767552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.767552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.767552 (E_RNA)
where:
Base-Base interactions energy: -216.386
where: short stacking energy: -96.088
Base-Backbone interact. energy: -0.118
local terms energy: -110.263749
where:
bonds (distance) C4'-P energy: -18.374
bonds (distance) P-C4' energy: -22.066
flat angles C4'-P-C4' energy: -24.551
flat angles P-C4'-P energy: -14.941
tors. eta vs tors. theta energy: -30.331
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: 2
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -315.366645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.366645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.366645 (E_RNA)
where:
Base-Base interactions energy: -217.559
where: short stacking energy: -90.683
Base-Backbone interact. energy: -0.413
local terms energy: -97.393925
where:
bonds (distance) C4'-P energy: -21.147
bonds (distance) P-C4' energy: -19.054
flat angles C4'-P-C4' energy: -22.432
flat angles P-C4'-P energy: -14.724
tors. eta vs tors. theta energy: -20.036
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: 5
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -317.547958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.547958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.547958 (E_RNA)
where:
Base-Base interactions energy: -224.959
where: short stacking energy: -91.443
Base-Backbone interact. energy: -0.091
local terms energy: -92.498820
where:
bonds (distance) C4'-P energy: -17.200
bonds (distance) P-C4' energy: -20.691
flat angles C4'-P-C4' energy: -17.982
flat angles P-C4'-P energy: -9.133
tors. eta vs tors. theta energy: -27.492
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: 254
Temperature: 1.050000
Total energy: -282.928373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.928373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.928373 (E_RNA)
where:
Base-Base interactions energy: -190.459
where: short stacking energy: -86.392
Base-Backbone interact. energy: -0.100
local terms energy: -92.369655
where:
bonds (distance) C4'-P energy: -17.448
bonds (distance) P-C4' energy: -16.778
flat angles C4'-P-C4' energy: -20.409
flat angles P-C4'-P energy: -14.091
tors. eta vs tors. theta energy: -23.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -274.827419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.827419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.827419 (E_RNA)
where:
Base-Base interactions energy: -181.845
where: short stacking energy: -82.502
Base-Backbone interact. energy: -0.453
local terms energy: -92.530143
where:
bonds (distance) C4'-P energy: -19.183
bonds (distance) P-C4' energy: -21.183
flat angles C4'-P-C4' energy: -18.503
flat angles P-C4'-P energy: -11.200
tors. eta vs tors. theta energy: -22.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -271.044857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.044857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.044857 (E_RNA)
where:
Base-Base interactions energy: -177.710
where: short stacking energy: -78.421
Base-Backbone interact. energy: -0.748
local terms energy: -92.587521
where:
bonds (distance) C4'-P energy: -21.150
bonds (distance) P-C4' energy: -18.513
flat angles C4'-P-C4' energy: -18.021
flat angles P-C4'-P energy: -13.868
tors. eta vs tors. theta energy: -21.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -250.626108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.626108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.626108 (E_RNA)
where:
Base-Base interactions energy: -163.787
where: short stacking energy: -62.492
Base-Backbone interact. energy: -0.813
local terms energy: -86.025804
where:
bonds (distance) C4'-P energy: -20.431
bonds (distance) P-C4' energy: -20.500
flat angles C4'-P-C4' energy: -18.442
flat angles P-C4'-P energy: -12.877
tors. eta vs tors. theta energy: -13.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -127.549444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.549444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.549444 (E_RNA)
where:
Base-Base interactions energy: -61.966
where: short stacking energy: -43.102
Base-Backbone interact. energy: -0.231
local terms energy: -65.351893
where:
bonds (distance) C4'-P energy: -16.535
bonds (distance) P-C4' energy: -18.465
flat angles C4'-P-C4' energy: -18.290
flat angles P-C4'-P energy: -7.050
tors. eta vs tors. theta energy: -5.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -117.820089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.820089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.820089 (E_RNA)
where:
Base-Base interactions energy: -51.875
where: short stacking energy: -46.667
Base-Backbone interact. energy: -0.239
local terms energy: -65.705395
where:
bonds (distance) C4'-P energy: -18.335
bonds (distance) P-C4' energy: -13.663
flat angles C4'-P-C4' energy: -16.731
flat angles P-C4'-P energy: -13.145
tors. eta vs tors. theta energy: -3.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -97.439391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.439391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.439391 (E_RNA)
where:
Base-Base interactions energy: -35.768
where: short stacking energy: -36.068
Base-Backbone interact. energy: -0.053
local terms energy: -61.618740
where:
bonds (distance) C4'-P energy: -20.519
bonds (distance) P-C4' energy: -17.271
flat angles C4'-P-C4' energy: -16.989
flat angles P-C4'-P energy: -7.426
tors. eta vs tors. theta energy: 0.586
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: 255
Temperature: 0.900000
Total energy: -328.387680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.387680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.387680 (E_RNA)
where:
Base-Base interactions energy: -224.814
where: short stacking energy: -92.972
Base-Backbone interact. energy: -0.280
local terms energy: -103.294224
where:
bonds (distance) C4'-P energy: -19.269
bonds (distance) P-C4' energy: -19.502
flat angles C4'-P-C4' energy: -21.590
flat angles P-C4'-P energy: -16.310
tors. eta vs tors. theta energy: -26.624
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: 2, replica: 2
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -319.832702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.832702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.832702 (E_RNA)
where:
Base-Base interactions energy: -217.100
where: short stacking energy: -96.134
Base-Backbone interact. energy: -0.780
local terms energy: -101.952429
where:
bonds (distance) C4'-P energy: -20.150
bonds (distance) P-C4' energy: -17.579
flat angles C4'-P-C4' energy: -19.878
flat angles P-C4'-P energy: -18.363
tors. eta vs tors. theta energy: -25.983
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: 3, replica: 5
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -289.418992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.418992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.418992 (E_RNA)
where:
Base-Base interactions energy: -195.619
where: short stacking energy: -84.520
Base-Backbone interact. energy: -0.414
local terms energy: -93.386821
where:
bonds (distance) C4'-P energy: -13.017
bonds (distance) P-C4' energy: -18.204
flat angles C4'-P-C4' energy: -20.700
flat angles P-C4'-P energy: -15.943
tors. eta vs tors. theta energy: -25.523
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: 10
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -277.187768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.187768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.187768 (E_RNA)
where:
Base-Base interactions energy: -193.318
where: short stacking energy: -71.125
Base-Backbone interact. energy: 2.916
local terms energy: -86.784924
where:
bonds (distance) C4'-P energy: -18.928
bonds (distance) P-C4' energy: -21.370
flat angles C4'-P-C4' energy: -18.021
flat angles P-C4'-P energy: -14.849
tors. eta vs tors. theta energy: -13.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -278.752850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.752850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.752850 (E_RNA)
where:
Base-Base interactions energy: -189.418
where: short stacking energy: -83.924
Base-Backbone interact. energy: -0.215
local terms energy: -89.119701
where:
bonds (distance) C4'-P energy: -16.913
bonds (distance) P-C4' energy: -16.930
flat angles C4'-P-C4' energy: -19.428
flat angles P-C4'-P energy: -11.839
tors. eta vs tors. theta energy: -24.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -257.480870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.480870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.480870 (E_RNA)
where:
Base-Base interactions energy: -167.852
where: short stacking energy: -71.791
Base-Backbone interact. energy: -0.320
local terms energy: -89.308467
where:
bonds (distance) C4'-P energy: -19.379
bonds (distance) P-C4' energy: -19.661
flat angles C4'-P-C4' energy: -18.319
flat angles P-C4'-P energy: -8.910
tors. eta vs tors. theta energy: -23.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -236.959786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.959786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.959786 (E_RNA)
where:
Base-Base interactions energy: -143.975
where: short stacking energy: -63.876
Base-Backbone interact. energy: -0.314
local terms energy: -92.671273
where:
bonds (distance) C4'-P energy: -20.115
bonds (distance) P-C4' energy: -22.695
flat angles C4'-P-C4' energy: -18.866
flat angles P-C4'-P energy: -15.634
tors. eta vs tors. theta energy: -15.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -106.668604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.668604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.668604 (E_RNA)
where:
Base-Base interactions energy: -43.643
where: short stacking energy: -33.315
Base-Backbone interact. energy: -0.293
local terms energy: -62.733517
where:
bonds (distance) C4'-P energy: -15.605
bonds (distance) P-C4' energy: -21.644
flat angles C4'-P-C4' energy: -18.802
flat angles P-C4'-P energy: -9.160
tors. eta vs tors. theta energy: 2.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -106.750219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.750219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.750219 (E_RNA)
where:
Base-Base interactions energy: -44.020
where: short stacking energy: -42.341
Base-Backbone interact. energy: -0.455
local terms energy: -62.275147
where:
bonds (distance) C4'-P energy: -14.854
bonds (distance) P-C4' energy: -20.000
flat angles C4'-P-C4' energy: -8.021
flat angles P-C4'-P energy: -15.930
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: 10, replica: 4
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -109.930038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.930038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.930038 (E_RNA)
where:
Base-Base interactions energy: -49.704
where: short stacking energy: -47.246
Base-Backbone interact. energy: -0.242
local terms energy: -59.983722
where:
bonds (distance) C4'-P energy: -12.254
bonds (distance) P-C4' energy: -16.938
flat angles C4'-P-C4' energy: -15.561
flat angles P-C4'-P energy: -12.286
tors. eta vs tors. theta energy: -2.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -320.260677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.260677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.260677 (E_RNA)
where:
Base-Base interactions energy: -216.896
where: short stacking energy: -96.600
Base-Backbone interact. energy: -0.097
local terms energy: -103.267481
where:
bonds (distance) C4'-P energy: -18.163
bonds (distance) P-C4' energy: -22.467
flat angles C4'-P-C4' energy: -20.952
flat angles P-C4'-P energy: -14.469
tors. eta vs tors. theta energy: -27.216
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: 7
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -325.517921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.517921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.517921 (E_RNA)
where:
Base-Base interactions energy: -223.307
where: short stacking energy: -101.136
Base-Backbone interact. energy: 0.206
local terms energy: -102.416992
where:
bonds (distance) C4'-P energy: -21.636
bonds (distance) P-C4' energy: -20.498
flat angles C4'-P-C4' energy: -18.398
flat angles P-C4'-P energy: -11.647
tors. eta vs tors. theta energy: -30.238
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: 5
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -304.241134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.241134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.241134 (E_RNA)
where:
Base-Base interactions energy: -208.908
where: short stacking energy: -81.260
Base-Backbone interact. energy: -0.149
local terms energy: -95.183875
where:
bonds (distance) C4'-P energy: -16.969
bonds (distance) P-C4' energy: -21.908
flat angles C4'-P-C4' energy: -18.636
flat angles P-C4'-P energy: -12.560
tors. eta vs tors. theta energy: -25.111
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: 256
Temperature: 1.050000
Total energy: -288.218137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.218137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.218137 (E_RNA)
where:
Base-Base interactions energy: -198.960
where: short stacking energy: -72.780
Base-Backbone interact. energy: -0.236
local terms energy: -89.022979
where:
bonds (distance) C4'-P energy: -18.588
bonds (distance) P-C4' energy: -20.979
flat angles C4'-P-C4' energy: -17.864
flat angles P-C4'-P energy: -10.104
tors. eta vs tors. theta energy: -21.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -277.296277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.296277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.296277 (E_RNA)
where:
Base-Base interactions energy: -189.769
where: short stacking energy: -76.359
Base-Backbone interact. energy: -0.012
local terms energy: -87.515990
where:
bonds (distance) C4'-P energy: -21.275
bonds (distance) P-C4' energy: -17.574
flat angles C4'-P-C4' energy: -13.435
flat angles P-C4'-P energy: -11.277
tors. eta vs tors. theta energy: -23.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -252.452198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.452198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.452198 (E_RNA)
where:
Base-Base interactions energy: -164.644
where: short stacking energy: -78.687
Base-Backbone interact. energy: -0.301
local terms energy: -87.507260
where:
bonds (distance) C4'-P energy: -19.085
bonds (distance) P-C4' energy: -17.477
flat angles C4'-P-C4' energy: -19.945
flat angles P-C4'-P energy: -10.582
tors. eta vs tors. theta energy: -20.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -180.574827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.574827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.574827 (E_RNA)
where:
Base-Base interactions energy: -92.608
where: short stacking energy: -48.231
Base-Backbone interact. energy: -0.311
local terms energy: -87.655203
where:
bonds (distance) C4'-P energy: -19.341
bonds (distance) P-C4' energy: -21.718
flat angles C4'-P-C4' energy: -19.181
flat angles P-C4'-P energy: -14.092
tors. eta vs tors. theta energy: -13.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -130.665438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.665438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.665438 (E_RNA)
where:
Base-Base interactions energy: -67.489
where: short stacking energy: -45.038
Base-Backbone interact. energy: -0.118
local terms energy: -63.058876
where:
bonds (distance) C4'-P energy: -16.804
bonds (distance) P-C4' energy: -14.807
flat angles C4'-P-C4' energy: -11.400
flat angles P-C4'-P energy: -12.218
tors. eta vs tors. theta energy: -7.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -100.872629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.872629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.872629 (E_RNA)
where:
Base-Base interactions energy: -33.975
where: short stacking energy: -30.160
Base-Backbone interact. energy: 3.333
local terms energy: -70.230279
where:
bonds (distance) C4'-P energy: -17.332
bonds (distance) P-C4' energy: -22.603
flat angles C4'-P-C4' energy: -14.437
flat angles P-C4'-P energy: -11.690
tors. eta vs tors. theta energy: -4.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -94.375778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.375778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.375778 (E_RNA)
where:
Base-Base interactions energy: -39.245
where: short stacking energy: -30.057
Base-Backbone interact. energy: 0.174
local terms energy: -55.304312
where:
bonds (distance) C4'-P energy: -16.747
bonds (distance) P-C4' energy: -14.803
flat angles C4'-P-C4' energy: -16.722
flat angles P-C4'-P energy: -9.253
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: 1, replica: 2
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -325.219030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.219030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.219030 (E_RNA)
where:
Base-Base interactions energy: -225.731
where: short stacking energy: -94.497
Base-Backbone interact. energy: -0.194
local terms energy: -99.294469
where:
bonds (distance) C4'-P energy: -19.376
bonds (distance) P-C4' energy: -19.009
flat angles C4'-P-C4' energy: -21.512
flat angles P-C4'-P energy: -15.382
tors. eta vs tors. theta energy: -24.016
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: 2, replica: 5
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -298.416513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.416513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.416513 (E_RNA)
where:
Base-Base interactions energy: -209.910
where: short stacking energy: -76.575
Base-Backbone interact. energy: -0.036
local terms energy: -88.470610
where:
bonds (distance) C4'-P energy: -17.546
bonds (distance) P-C4' energy: -21.221
flat angles C4'-P-C4' energy: -18.846
flat angles P-C4'-P energy: -8.964
tors. eta vs tors. theta energy: -21.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -314.853812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.853812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.853812 (E_RNA)
where:
Base-Base interactions energy: -212.655
where: short stacking energy: -91.651
Base-Backbone interact. energy: -0.126
local terms energy: -102.072436
where:
bonds (distance) C4'-P energy: -20.451
bonds (distance) P-C4' energy: -24.432
flat angles C4'-P-C4' energy: -19.107
flat angles P-C4'-P energy: -12.302
tors. eta vs tors. theta energy: -25.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -266.914169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.914169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.914169 (E_RNA)
where:
Base-Base interactions energy: -181.249
where: short stacking energy: -79.473
Base-Backbone interact. energy: -0.693
local terms energy: -84.971950
where:
bonds (distance) C4'-P energy: -17.434
bonds (distance) P-C4' energy: -14.457
flat angles C4'-P-C4' energy: -20.577
flat angles P-C4'-P energy: -12.516
tors. eta vs tors. theta energy: -19.988
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: 5, replica: 10
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -277.248089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.248089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.248089 (E_RNA)
where:
Base-Base interactions energy: -194.336
where: short stacking energy: -67.117
Base-Backbone interact. energy: 1.252
local terms energy: -84.163738
where:
bonds (distance) C4'-P energy: -19.197
bonds (distance) P-C4' energy: -14.134
flat angles C4'-P-C4' energy: -15.532
flat angles P-C4'-P energy: -12.025
tors. eta vs tors. theta energy: -23.275
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: 6, replica: 8
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -241.589314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.589314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.589314 (E_RNA)
where:
Base-Base interactions energy: -157.750
where: short stacking energy: -69.695
Base-Backbone interact. energy: -0.623
local terms energy: -83.216470
where:
bonds (distance) C4'-P energy: -13.571
bonds (distance) P-C4' energy: -14.777
flat angles C4'-P-C4' energy: -17.903
flat angles P-C4'-P energy: -17.100
tors. eta vs tors. theta energy: -19.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -198.933092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.933092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.933092 (E_RNA)
where:
Base-Base interactions energy: -131.871
where: short stacking energy: -37.287
Base-Backbone interact. energy: -0.543
local terms energy: -66.518412
where:
bonds (distance) C4'-P energy: -14.031
bonds (distance) P-C4' energy: -18.434
flat angles C4'-P-C4' energy: -18.253
flat angles P-C4'-P energy: -12.009
tors. eta vs tors. theta energy: -3.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -132.595854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.595854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.595854 (E_RNA)
where:
Base-Base interactions energy: -74.109
where: short stacking energy: -50.112
Base-Backbone interact. energy: 2.522
local terms energy: -61.009142
where:
bonds (distance) C4'-P energy: -15.180
bonds (distance) P-C4' energy: -21.389
flat angles C4'-P-C4' energy: -11.519
flat angles P-C4'-P energy: -5.402
tors. eta vs tors. theta energy: -7.518
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: 4
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -124.588648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.588648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.588648 (E_RNA)
where:
Base-Base interactions energy: -60.831
where: short stacking energy: -38.772
Base-Backbone interact. energy: -0.238
local terms energy: -63.519524
where:
bonds (distance) C4'-P energy: -13.203
bonds (distance) P-C4' energy: -21.711
flat angles C4'-P-C4' energy: -19.980
flat angles P-C4'-P energy: -5.421
tors. eta vs tors. theta energy: -3.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -94.535574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.535574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.535574 (E_RNA)
where:
Base-Base interactions energy: -29.328
where: short stacking energy: -24.515
Base-Backbone interact. energy: -0.164
local terms energy: -65.043609
where:
bonds (distance) C4'-P energy: -21.453
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -18.556
flat angles P-C4'-P energy: -10.272
tors. eta vs tors. theta energy: 0.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -335.066415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.066415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.066415 (E_RNA)
where:
Base-Base interactions energy: -227.228
where: short stacking energy: -101.580
Base-Backbone interact. energy: -0.154
local terms energy: -107.684405
where:
bonds (distance) C4'-P energy: -20.177
bonds (distance) P-C4' energy: -20.794
flat angles C4'-P-C4' energy: -23.458
flat angles P-C4'-P energy: -14.844
tors. eta vs tors. theta energy: -28.412
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: 5
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -307.380282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.380282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.380282 (E_RNA)
where:
Base-Base interactions energy: -212.093
where: short stacking energy: -83.778
Base-Backbone interact. energy: -0.244
local terms energy: -95.042414
where:
bonds (distance) C4'-P energy: -20.692
bonds (distance) P-C4' energy: -22.911
flat angles C4'-P-C4' energy: -18.451
flat angles P-C4'-P energy: -8.689
tors. eta vs tors. theta energy: -24.300
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: 7
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -314.524173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.524173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.524173 (E_RNA)
where:
Base-Base interactions energy: -217.679
where: short stacking energy: -95.723
Base-Backbone interact. energy: -0.138
local terms energy: -96.707200
where:
bonds (distance) C4'-P energy: -15.313
bonds (distance) P-C4' energy: -20.573
flat angles C4'-P-C4' energy: -20.710
flat angles P-C4'-P energy: -15.415
tors. eta vs tors. theta energy: -24.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -270.866338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.866338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.866338 (E_RNA)
where:
Base-Base interactions energy: -189.408
where: short stacking energy: -73.968
Base-Backbone interact. energy: -0.664
local terms energy: -80.794459
where:
bonds (distance) C4'-P energy: -16.187
bonds (distance) P-C4' energy: -21.051
flat angles C4'-P-C4' energy: -15.404
flat angles P-C4'-P energy: -12.123
tors. eta vs tors. theta energy: -16.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -280.380727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.380727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.380727 (E_RNA)
where:
Base-Base interactions energy: -192.127
where: short stacking energy: -74.829
Base-Backbone interact. energy: -0.542
local terms energy: -87.711756
where:
bonds (distance) C4'-P energy: -15.520
bonds (distance) P-C4' energy: -21.936
flat angles C4'-P-C4' energy: -14.638
flat angles P-C4'-P energy: -15.595
tors. eta vs tors. theta energy: -20.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -257.889749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.889749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.889749 (E_RNA)
where:
Base-Base interactions energy: -173.980
where: short stacking energy: -67.346
Base-Backbone interact. energy: -0.104
local terms energy: -83.805320
where:
bonds (distance) C4'-P energy: -14.861
bonds (distance) P-C4' energy: -24.110
flat angles C4'-P-C4' energy: -20.282
flat angles P-C4'-P energy: -7.555
tors. eta vs tors. theta energy: -16.997
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: 6
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -183.665698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.665698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.665698 (E_RNA)
where:
Base-Base interactions energy: -106.453
where: short stacking energy: -61.324
Base-Backbone interact. energy: -0.912
local terms energy: -76.300706
where:
bonds (distance) C4'-P energy: -18.005
bonds (distance) P-C4' energy: -18.728
flat angles C4'-P-C4' energy: -19.489
flat angles P-C4'-P energy: -9.076
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: 8, replica: 1
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -105.644550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.644550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.644550 (E_RNA)
where:
Base-Base interactions energy: -45.249
where: short stacking energy: -44.147
Base-Backbone interact. energy: -0.899
local terms energy: -59.496151
where:
bonds (distance) C4'-P energy: -15.868
bonds (distance) P-C4' energy: -11.423
flat angles C4'-P-C4' energy: -13.806
flat angles P-C4'-P energy: -14.016
tors. eta vs tors. theta energy: -4.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -108.328261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.328261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.328261 (E_RNA)
where:
Base-Base interactions energy: -40.827
where: short stacking energy: -40.618
Base-Backbone interact. energy: -0.202
local terms energy: -67.299480
where:
bonds (distance) C4'-P energy: -17.316
bonds (distance) P-C4' energy: -22.300
flat angles C4'-P-C4' energy: -10.255
flat angles P-C4'-P energy: -10.779
tors. eta vs tors. theta energy: -6.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -106.032985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.032985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.032985 (E_RNA)
where:
Base-Base interactions energy: -31.516
where: short stacking energy: -28.395
Base-Backbone interact. energy: -0.245
local terms energy: -74.271987
where:
bonds (distance) C4'-P energy: -17.756
bonds (distance) P-C4' energy: -19.554
flat angles C4'-P-C4' energy: -13.633
flat angles P-C4'-P energy: -14.604
tors. eta vs tors. theta energy: -8.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -330.914527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.914527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.914527 (E_RNA)
where:
Base-Base interactions energy: -223.468
where: short stacking energy: -99.205
Base-Backbone interact. energy: -0.635
local terms energy: -106.811156
where:
bonds (distance) C4'-P energy: -23.247
bonds (distance) P-C4' energy: -18.812
flat angles C4'-P-C4' energy: -22.252
flat angles P-C4'-P energy: -13.031
tors. eta vs tors. theta energy: -29.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -331.284319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.284319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.284319 (E_RNA)
where:
Base-Base interactions energy: -228.050
where: short stacking energy: -96.602
Base-Backbone interact. energy: -0.395
local terms energy: -102.838923
where:
bonds (distance) C4'-P energy: -20.414
bonds (distance) P-C4' energy: -19.029
flat angles C4'-P-C4' energy: -21.436
flat angles P-C4'-P energy: -15.695
tors. eta vs tors. theta energy: -26.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -294.474061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.474061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.474061 (E_RNA)
where:
Base-Base interactions energy: -213.015
where: short stacking energy: -87.532
Base-Backbone interact. energy: -0.423
local terms energy: -81.036006
where:
bonds (distance) C4'-P energy: -11.094
bonds (distance) P-C4' energy: -18.684
flat angles C4'-P-C4' energy: -21.225
flat angles P-C4'-P energy: -6.829
tors. eta vs tors. theta energy: -23.204
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: 4, replica: 8
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -262.784008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.784008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.784008 (E_RNA)
where:
Base-Base interactions energy: -182.333
where: short stacking energy: -73.350
Base-Backbone interact. energy: -0.535
local terms energy: -79.916100
where:
bonds (distance) C4'-P energy: -18.292
bonds (distance) P-C4' energy: -21.484
flat angles C4'-P-C4' energy: -15.273
flat angles P-C4'-P energy: -9.787
tors. eta vs tors. theta energy: -15.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -253.400844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.400844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.400844 (E_RNA)
where:
Base-Base interactions energy: -172.231
where: short stacking energy: -75.303
Base-Backbone interact. energy: -0.868
local terms energy: -80.302072
where:
bonds (distance) C4'-P energy: -17.946
bonds (distance) P-C4' energy: -17.956
flat angles C4'-P-C4' energy: -15.908
flat angles P-C4'-P energy: -12.947
tors. eta vs tors. theta energy: -15.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -258.153123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.153123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.153123 (E_RNA)
where:
Base-Base interactions energy: -182.677
where: short stacking energy: -74.779
Base-Backbone interact. energy: -0.075
local terms energy: -75.400559
where:
bonds (distance) C4'-P energy: -17.718
bonds (distance) P-C4' energy: -15.247
flat angles C4'-P-C4' energy: -18.092
flat angles P-C4'-P energy: -8.638
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: 7, replica: 6
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -179.089039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.089039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.089039 (E_RNA)
where:
Base-Base interactions energy: -92.248
where: short stacking energy: -48.422
Base-Backbone interact. energy: -0.909
local terms energy: -85.932178
where:
bonds (distance) C4'-P energy: -20.848
bonds (distance) P-C4' energy: -23.705
flat angles C4'-P-C4' energy: -19.134
flat angles P-C4'-P energy: -16.849
tors. eta vs tors. theta energy: -5.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -107.231939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.231939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.231939 (E_RNA)
where:
Base-Base interactions energy: -39.505
where: short stacking energy: -39.505
Base-Backbone interact. energy: -0.249
local terms energy: -67.477865
where:
bonds (distance) C4'-P energy: -20.327
bonds (distance) P-C4' energy: -20.570
flat angles C4'-P-C4' energy: -13.278
flat angles P-C4'-P energy: -14.728
tors. eta vs tors. theta energy: 1.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -101.841307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.841307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.841307 (E_RNA)
where:
Base-Base interactions energy: -45.926
where: short stacking energy: -31.682
Base-Backbone interact. energy: -0.289
local terms energy: -55.626047
where:
bonds (distance) C4'-P energy: -12.037
bonds (distance) P-C4' energy: -18.475
flat angles C4'-P-C4' energy: -19.299
flat angles P-C4'-P energy: -11.412
tors. eta vs tors. theta energy: 5.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -113.530389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.530389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.530389 (E_RNA)
where:
Base-Base interactions energy: -50.874
where: short stacking energy: -44.467
Base-Backbone interact. energy: -1.512
local terms energy: -61.144981
where:
bonds (distance) C4'-P energy: -14.303
bonds (distance) P-C4' energy: -14.842
flat angles C4'-P-C4' energy: -16.086
flat angles P-C4'-P energy: -9.819
tors. eta vs tors. theta energy: -6.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -323.637264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.637264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.637264 (E_RNA)
where:
Base-Base interactions energy: -222.683
where: short stacking energy: -97.671
Base-Backbone interact. energy: 0.439
local terms energy: -101.393211
where:
bonds (distance) C4'-P energy: -19.391
bonds (distance) P-C4' energy: -20.661
flat angles C4'-P-C4' energy: -22.807
flat angles P-C4'-P energy: -10.863
tors. eta vs tors. theta energy: -27.671
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: 2, replica: 2
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -324.334046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.334046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.334046 (E_RNA)
where:
Base-Base interactions energy: -223.558
where: short stacking energy: -95.427
Base-Backbone interact. energy: -0.075
local terms energy: -100.700991
where:
bonds (distance) C4'-P energy: -21.721
bonds (distance) P-C4' energy: -20.681
flat angles C4'-P-C4' energy: -22.283
flat angles P-C4'-P energy: -11.875
tors. eta vs tors. theta energy: -24.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -291.829305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.829305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.829305 (E_RNA)
where:
Base-Base interactions energy: -190.992
where: short stacking energy: -75.476
Base-Backbone interact. energy: -0.612
local terms energy: -100.224990
where:
bonds (distance) C4'-P energy: -23.407
bonds (distance) P-C4' energy: -22.598
flat angles C4'-P-C4' energy: -23.185
flat angles P-C4'-P energy: -14.044
tors. eta vs tors. theta energy: -16.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -266.075794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.075794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.075794 (E_RNA)
where:
Base-Base interactions energy: -173.089
where: short stacking energy: -77.672
Base-Backbone interact. energy: -0.288
local terms energy: -92.698817
where:
bonds (distance) C4'-P energy: -19.880
bonds (distance) P-C4' energy: -22.973
flat angles C4'-P-C4' energy: -17.983
flat angles P-C4'-P energy: -17.576
tors. eta vs tors. theta energy: -14.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -270.740915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.740915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.740915 (E_RNA)
where:
Base-Base interactions energy: -177.685
where: short stacking energy: -79.404
Base-Backbone interact. energy: -0.026
local terms energy: -93.030075
where:
bonds (distance) C4'-P energy: -20.074
bonds (distance) P-C4' energy: -17.884
flat angles C4'-P-C4' energy: -20.420
flat angles P-C4'-P energy: -11.658
tors. eta vs tors. theta energy: -22.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -279.863095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.863095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.863095 (E_RNA)
where:
Base-Base interactions energy: -187.893
where: short stacking energy: -79.633
Base-Backbone interact. energy: -0.152
local terms energy: -91.817852
where:
bonds (distance) C4'-P energy: -16.304
bonds (distance) P-C4' energy: -23.623
flat angles C4'-P-C4' energy: -18.946
flat angles P-C4'-P energy: -11.000
tors. eta vs tors. theta energy: -21.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -123.269388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.269388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.269388 (E_RNA)
where:
Base-Base interactions energy: -48.088
where: short stacking energy: -48.088
Base-Backbone interact. energy: -0.157
local terms energy: -75.024816
where:
bonds (distance) C4'-P energy: -17.732
bonds (distance) P-C4' energy: -19.521
flat angles C4'-P-C4' energy: -17.540
flat angles P-C4'-P energy: -9.711
tors. eta vs tors. theta energy: -10.520
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: 6
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -168.307002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.307002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.307002 (E_RNA)
where:
Base-Base interactions energy: -108.143
where: short stacking energy: -57.916
Base-Backbone interact. energy: -0.327
local terms energy: -59.836972
where:
bonds (distance) C4'-P energy: -10.939
bonds (distance) P-C4' energy: -15.876
flat angles C4'-P-C4' energy: -15.577
flat angles P-C4'-P energy: -12.254
tors. eta vs tors. theta energy: -5.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -130.907139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.907139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.907139 (E_RNA)
where:
Base-Base interactions energy: -63.261
where: short stacking energy: -38.415
Base-Backbone interact. energy: -0.725
local terms energy: -66.920583
where:
bonds (distance) C4'-P energy: -17.688
bonds (distance) P-C4' energy: -20.094
flat angles C4'-P-C4' energy: -17.472
flat angles P-C4'-P energy: -1.961
tors. eta vs tors. theta energy: -9.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -107.429937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.429937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.429937 (E_RNA)
where:
Base-Base interactions energy: -34.078
where: short stacking energy: -33.957
Base-Backbone interact. energy: 0.563
local terms energy: -73.915042
where:
bonds (distance) C4'-P energy: -21.925
bonds (distance) P-C4' energy: -20.225
flat angles C4'-P-C4' energy: -20.507
flat angles P-C4'-P energy: -9.952
tors. eta vs tors. theta energy: -1.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -327.818904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.818904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.818904 (E_RNA)
where:
Base-Base interactions energy: -220.558
where: short stacking energy: -93.526
Base-Backbone interact. energy: -0.112
local terms energy: -107.148943
where:
bonds (distance) C4'-P energy: -23.453
bonds (distance) P-C4' energy: -18.059
flat angles C4'-P-C4' energy: -24.725
flat angles P-C4'-P energy: -10.509
tors. eta vs tors. theta energy: -30.404
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: 2
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -317.775428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.775428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.775428 (E_RNA)
where:
Base-Base interactions energy: -218.298
where: short stacking energy: -89.158
Base-Backbone interact. energy: 0.224
local terms energy: -99.701877
where:
bonds (distance) C4'-P energy: -18.970
bonds (distance) P-C4' energy: -24.374
flat angles C4'-P-C4' energy: -21.002
flat angles P-C4'-P energy: -12.992
tors. eta vs tors. theta energy: -22.365
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: 3, replica: 5
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -313.387918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.387918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.387918 (E_RNA)
where:
Base-Base interactions energy: -219.051
where: short stacking energy: -88.292
Base-Backbone interact. energy: -0.063
local terms energy: -94.274741
where:
bonds (distance) C4'-P energy: -18.471
bonds (distance) P-C4' energy: -20.326
flat angles C4'-P-C4' energy: -21.757
flat angles P-C4'-P energy: -6.212
tors. eta vs tors. theta energy: -27.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -292.540269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.540269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.540269 (E_RNA)
where:
Base-Base interactions energy: -196.645
where: short stacking energy: -75.066
Base-Backbone interact. energy: -0.055
local terms energy: -95.840578
where:
bonds (distance) C4'-P energy: -21.072
bonds (distance) P-C4' energy: -22.440
flat angles C4'-P-C4' energy: -19.071
flat angles P-C4'-P energy: -12.030
tors. eta vs tors. theta energy: -21.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -262.589658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.589658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.589658 (E_RNA)
where:
Base-Base interactions energy: -171.453
where: short stacking energy: -54.214
Base-Backbone interact. energy: -0.903
local terms energy: -90.234318
where:
bonds (distance) C4'-P energy: -17.812
bonds (distance) P-C4' energy: -21.147
flat angles C4'-P-C4' energy: -24.015
flat angles P-C4'-P energy: -14.726
tors. eta vs tors. theta energy: -12.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -290.479886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.479886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.479886 (E_RNA)
where:
Base-Base interactions energy: -196.435
where: short stacking energy: -82.191
Base-Backbone interact. energy: -0.802
local terms energy: -93.242556
where:
bonds (distance) C4'-P energy: -15.471
bonds (distance) P-C4' energy: -20.781
flat angles C4'-P-C4' energy: -20.445
flat angles P-C4'-P energy: -12.472
tors. eta vs tors. theta energy: -24.074
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: 1
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -113.730194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.730194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.730194 (E_RNA)
where:
Base-Base interactions energy: -48.092
where: short stacking energy: -38.979
Base-Backbone interact. energy: -0.251
local terms energy: -65.387286
where:
bonds (distance) C4'-P energy: -18.485
bonds (distance) P-C4' energy: -18.362
flat angles C4'-P-C4' energy: -17.751
flat angles P-C4'-P energy: -6.245
tors. eta vs tors. theta energy: -4.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -169.754405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.754405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.754405 (E_RNA)
where:
Base-Base interactions energy: -94.491
where: short stacking energy: -43.286
Base-Backbone interact. energy: -1.202
local terms energy: -74.061694
where:
bonds (distance) C4'-P energy: -19.813
bonds (distance) P-C4' energy: -19.652
flat angles C4'-P-C4' energy: -9.692
flat angles P-C4'-P energy: -17.571
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: 9, replica: 4
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -120.090583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.090583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.090583 (E_RNA)
where:
Base-Base interactions energy: -54.170
where: short stacking energy: -53.795
Base-Backbone interact. energy: 0.396
local terms energy: -66.316111
where:
bonds (distance) C4'-P energy: -7.664
bonds (distance) P-C4' energy: -18.704
flat angles C4'-P-C4' energy: -20.744
flat angles P-C4'-P energy: -8.418
tors. eta vs tors. theta energy: -10.786
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: 9
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -103.942498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.942498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.942498 (E_RNA)
where:
Base-Base interactions energy: -35.183
where: short stacking energy: -35.283
Base-Backbone interact. energy: -0.117
local terms energy: -68.642811
where:
bonds (distance) C4'-P energy: -18.874
bonds (distance) P-C4' energy: -20.786
flat angles C4'-P-C4' energy: -11.811
flat angles P-C4'-P energy: -14.373
tors. eta vs tors. theta energy: -2.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -332.392888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.392888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.392888 (E_RNA)
where:
Base-Base interactions energy: -220.137
where: short stacking energy: -96.241
Base-Backbone interact. energy: -0.503
local terms energy: -111.752760
where:
bonds (distance) C4'-P energy: -22.740
bonds (distance) P-C4' energy: -21.033
flat angles C4'-P-C4' energy: -22.268
flat angles P-C4'-P energy: -17.413
tors. eta vs tors. theta energy: -28.299
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: 262
Temperature: 0.950000
Total energy: -323.451300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.451300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.451300 (E_RNA)
where:
Base-Base interactions energy: -217.683
where: short stacking energy: -92.558
Base-Backbone interact. energy: 0.768
local terms energy: -106.535423
where:
bonds (distance) C4'-P energy: -19.182
bonds (distance) P-C4' energy: -22.461
flat angles C4'-P-C4' energy: -22.517
flat angles P-C4'-P energy: -18.987
tors. eta vs tors. theta energy: -23.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -301.768611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.768611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.768611 (E_RNA)
where:
Base-Base interactions energy: -217.140
where: short stacking energy: -81.464
Base-Backbone interact. energy: -0.226
local terms energy: -84.402724
where:
bonds (distance) C4'-P energy: -17.910
bonds (distance) P-C4' energy: -17.455
flat angles C4'-P-C4' energy: -19.212
flat angles P-C4'-P energy: -10.925
tors. eta vs tors. theta energy: -18.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -311.752035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.752035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.752035 (E_RNA)
where:
Base-Base interactions energy: -219.640
where: short stacking energy: -90.012
Base-Backbone interact. energy: -0.093
local terms energy: -92.019384
where:
bonds (distance) C4'-P energy: -14.687
bonds (distance) P-C4' energy: -20.200
flat angles C4'-P-C4' energy: -21.872
flat angles P-C4'-P energy: -7.306
tors. eta vs tors. theta energy: -27.954
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: 262
Temperature: 1.100000
Total energy: -298.153221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.153221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.153221 (E_RNA)
where:
Base-Base interactions energy: -206.114
where: short stacking energy: -80.698
Base-Backbone interact. energy: 1.741
local terms energy: -93.780361
where:
bonds (distance) C4'-P energy: -16.711
bonds (distance) P-C4' energy: -14.799
flat angles C4'-P-C4' energy: -22.573
flat angles P-C4'-P energy: -15.812
tors. eta vs tors. theta energy: -23.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -255.281301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.281301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.281301 (E_RNA)
where:
Base-Base interactions energy: -181.942
where: short stacking energy: -65.642
Base-Backbone interact. energy: 0.686
local terms energy: -74.024984
where:
bonds (distance) C4'-P energy: -15.807
bonds (distance) P-C4' energy: -18.152
flat angles C4'-P-C4' energy: -15.201
flat angles P-C4'-P energy: -11.945
tors. eta vs tors. theta energy: -12.920
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: 6
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -190.171012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.171012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.171012 (E_RNA)
where:
Base-Base interactions energy: -106.276
where: short stacking energy: -50.111
Base-Backbone interact. energy: -0.284
local terms energy: -83.611495
where:
bonds (distance) C4'-P energy: -17.106
bonds (distance) P-C4' energy: -22.120
flat angles C4'-P-C4' energy: -20.439
flat angles P-C4'-P energy: -12.137
tors. eta vs tors. theta energy: -11.809
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: 8, replica: 1
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -114.592123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.592123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.592123 (E_RNA)
where:
Base-Base interactions energy: -38.679
where: short stacking energy: -28.778
Base-Backbone interact. energy: -0.383
local terms energy: -75.530588
where:
bonds (distance) C4'-P energy: -18.714
bonds (distance) P-C4' energy: -17.151
flat angles C4'-P-C4' energy: -21.820
flat angles P-C4'-P energy: -15.181
tors. eta vs tors. theta energy: -2.666
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: 4
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -105.298636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.298636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.298636 (E_RNA)
where:
Base-Base interactions energy: -39.985
where: short stacking energy: -38.686
Base-Backbone interact. energy: -0.215
local terms energy: -65.098479
where:
bonds (distance) C4'-P energy: -11.077
bonds (distance) P-C4' energy: -18.740
flat angles C4'-P-C4' energy: -13.314
flat angles P-C4'-P energy: -14.972
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: 10, replica: 9
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -102.294236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.294236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.294236 (E_RNA)
where:
Base-Base interactions energy: -34.643
where: short stacking energy: -34.504
Base-Backbone interact. energy: 2.416
local terms energy: -70.067099
where:
bonds (distance) C4'-P energy: -20.261
bonds (distance) P-C4' energy: -16.837
flat angles C4'-P-C4' energy: -18.948
flat angles P-C4'-P energy: -12.102
tors. eta vs tors. theta energy: -1.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -322.712652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.712652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.712652 (E_RNA)
where:
Base-Base interactions energy: -219.191
where: short stacking energy: -95.107
Base-Backbone interact. energy: -0.433
local terms energy: -103.088714
where:
bonds (distance) C4'-P energy: -22.345
bonds (distance) P-C4' energy: -20.329
flat angles C4'-P-C4' energy: -21.207
flat angles P-C4'-P energy: -11.181
tors. eta vs tors. theta energy: -28.027
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: 10
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -316.048057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.048057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.048057 (E_RNA)
where:
Base-Base interactions energy: -231.314
where: short stacking energy: -90.535
Base-Backbone interact. energy: -1.818
local terms energy: -82.916687
where:
bonds (distance) C4'-P energy: -22.170
bonds (distance) P-C4' energy: -16.245
flat angles C4'-P-C4' energy: -17.693
flat angles P-C4'-P energy: -8.045
tors. eta vs tors. theta energy: -18.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -312.064690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.064690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.064690 (E_RNA)
where:
Base-Base interactions energy: -216.616
where: short stacking energy: -89.825
Base-Backbone interact. energy: -0.350
local terms energy: -95.098686
where:
bonds (distance) C4'-P energy: -15.367
bonds (distance) P-C4' energy: -21.932
flat angles C4'-P-C4' energy: -19.715
flat angles P-C4'-P energy: -11.568
tors. eta vs tors. theta energy: -26.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -305.354185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.354185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.354185 (E_RNA)
where:
Base-Base interactions energy: -219.848
where: short stacking energy: -86.439
Base-Backbone interact. energy: -0.464
local terms energy: -85.042093
where:
bonds (distance) C4'-P energy: -16.983
bonds (distance) P-C4' energy: -14.523
flat angles C4'-P-C4' energy: -18.422
flat angles P-C4'-P energy: -9.903
tors. eta vs tors. theta energy: -25.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -296.130636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.130636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.130636 (E_RNA)
where:
Base-Base interactions energy: -205.502
where: short stacking energy: -79.424
Base-Backbone interact. energy: -0.272
local terms energy: -90.355880
where:
bonds (distance) C4'-P energy: -11.716
bonds (distance) P-C4' energy: -19.467
flat angles C4'-P-C4' energy: -19.829
flat angles P-C4'-P energy: -13.566
tors. eta vs tors. theta energy: -25.778
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: 8
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -263.863563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.863563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.863563 (E_RNA)
where:
Base-Base interactions energy: -183.541
where: short stacking energy: -73.360
Base-Backbone interact. energy: -0.169
local terms energy: -80.153554
where:
bonds (distance) C4'-P energy: -18.697
bonds (distance) P-C4' energy: -14.960
flat angles C4'-P-C4' energy: -19.710
flat angles P-C4'-P energy: -11.198
tors. eta vs tors. theta energy: -15.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -184.538072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.538072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.538072 (E_RNA)
where:
Base-Base interactions energy: -108.171
where: short stacking energy: -59.631
Base-Backbone interact. energy: -0.244
local terms energy: -76.123142
where:
bonds (distance) C4'-P energy: -14.716
bonds (distance) P-C4' energy: -15.757
flat angles C4'-P-C4' energy: -19.977
flat angles P-C4'-P energy: -12.455
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: 8, replica: 4
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -109.455074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.455074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.455074 (E_RNA)
where:
Base-Base interactions energy: -43.170
where: short stacking energy: -38.169
Base-Backbone interact. energy: -0.376
local terms energy: -65.909582
where:
bonds (distance) C4'-P energy: -19.272
bonds (distance) P-C4' energy: -17.962
flat angles C4'-P-C4' energy: -21.166
flat angles P-C4'-P energy: -4.290
tors. eta vs tors. theta energy: -3.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -112.513280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.513280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.513280 (E_RNA)
where:
Base-Base interactions energy: -36.597
where: short stacking energy: -35.090
Base-Backbone interact. energy: -0.024
local terms energy: -75.892824
where:
bonds (distance) C4'-P energy: -21.119
bonds (distance) P-C4' energy: -17.771
flat angles C4'-P-C4' energy: -17.295
flat angles P-C4'-P energy: -8.367
tors. eta vs tors. theta energy: -11.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -98.776068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.776068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.776068 (E_RNA)
where:
Base-Base interactions energy: -43.205
where: short stacking energy: -40.538
Base-Backbone interact. energy: -0.200
local terms energy: -55.371436
where:
bonds (distance) C4'-P energy: -17.437
bonds (distance) P-C4' energy: -17.663
flat angles C4'-P-C4' energy: -14.594
flat angles P-C4'-P energy: -4.816
tors. eta vs tors. theta energy: -0.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -323.303108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.303108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.303108 (E_RNA)
where:
Base-Base interactions energy: -220.414
where: short stacking energy: -93.886
Base-Backbone interact. energy: -0.165
local terms energy: -102.723288
where:
bonds (distance) C4'-P energy: -21.900
bonds (distance) P-C4' energy: -20.225
flat angles C4'-P-C4' energy: -19.656
flat angles P-C4'-P energy: -18.996
tors. eta vs tors. theta energy: -21.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -314.138567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.138567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.138567 (E_RNA)
where:
Base-Base interactions energy: -212.930
where: short stacking energy: -89.170
Base-Backbone interact. energy: -0.337
local terms energy: -100.871719
where:
bonds (distance) C4'-P energy: -22.562
bonds (distance) P-C4' energy: -19.882
flat angles C4'-P-C4' energy: -22.690
flat angles P-C4'-P energy: -12.028
tors. eta vs tors. theta energy: -23.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -317.014292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.014292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.014292 (E_RNA)
where:
Base-Base interactions energy: -223.421
where: short stacking energy: -97.274
Base-Backbone interact. energy: 0.849
local terms energy: -94.441630
where:
bonds (distance) C4'-P energy: -10.520
bonds (distance) P-C4' energy: -19.604
flat angles C4'-P-C4' energy: -21.631
flat angles P-C4'-P energy: -14.404
tors. eta vs tors. theta energy: -28.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -293.912411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.912411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.912411 (E_RNA)
where:
Base-Base interactions energy: -198.161
where: short stacking energy: -80.652
Base-Backbone interact. energy: -0.031
local terms energy: -95.720421
where:
bonds (distance) C4'-P energy: -16.329
bonds (distance) P-C4' energy: -23.483
flat angles C4'-P-C4' energy: -22.175
flat angles P-C4'-P energy: -10.458
tors. eta vs tors. theta energy: -23.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -305.360607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.360607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.360607 (E_RNA)
where:
Base-Base interactions energy: -218.932
where: short stacking energy: -91.337
Base-Backbone interact. energy: -0.793
local terms energy: -85.635756
where:
bonds (distance) C4'-P energy: -12.825
bonds (distance) P-C4' energy: -14.134
flat angles C4'-P-C4' energy: -22.102
flat angles P-C4'-P energy: -14.985
tors. eta vs tors. theta energy: -21.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -273.856015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.856015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.856015 (E_RNA)
where:
Base-Base interactions energy: -183.480
where: short stacking energy: -77.189
Base-Backbone interact. energy: -0.790
local terms energy: -89.585250
where:
bonds (distance) C4'-P energy: -20.593
bonds (distance) P-C4' energy: -21.433
flat angles C4'-P-C4' energy: -16.892
flat angles P-C4'-P energy: -8.986
tors. eta vs tors. theta energy: -21.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -173.225423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.225423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.225423 (E_RNA)
where:
Base-Base interactions energy: -100.097
where: short stacking energy: -45.005
Base-Backbone interact. energy: -0.137
local terms energy: -72.991579
where:
bonds (distance) C4'-P energy: -16.358
bonds (distance) P-C4' energy: -16.404
flat angles C4'-P-C4' energy: -20.738
flat angles P-C4'-P energy: -11.648
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: 8, replica: 4
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -119.133525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.133525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.133525 (E_RNA)
where:
Base-Base interactions energy: -49.753
where: short stacking energy: -36.115
Base-Backbone interact. energy: 0.939
local terms energy: -70.319755
where:
bonds (distance) C4'-P energy: -17.330
bonds (distance) P-C4' energy: -23.153
flat angles C4'-P-C4' energy: -13.434
flat angles P-C4'-P energy: -10.398
tors. eta vs tors. theta energy: -6.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -109.439969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.439969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.439969 (E_RNA)
where:
Base-Base interactions energy: -39.964
where: short stacking energy: -30.753
Base-Backbone interact. energy: -0.351
local terms energy: -69.124836
where:
bonds (distance) C4'-P energy: -17.290
bonds (distance) P-C4' energy: -23.822
flat angles C4'-P-C4' energy: -15.298
flat angles P-C4'-P energy: -10.499
tors. eta vs tors. theta energy: -2.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -101.811882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.811882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.811882 (E_RNA)
where:
Base-Base interactions energy: -62.806
where: short stacking energy: -41.371
Base-Backbone interact. energy: -0.500
local terms energy: -38.505631
where:
bonds (distance) C4'-P energy: -9.330
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -7.819
flat angles P-C4'-P energy: -0.425
tors. eta vs tors. theta energy: -4.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -321.204652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.204652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.204652 (E_RNA)
where:
Base-Base interactions energy: -224.876
where: short stacking energy: -90.362
Base-Backbone interact. energy: -0.108
local terms energy: -96.221333
where:
bonds (distance) C4'-P energy: -18.814
bonds (distance) P-C4' energy: -20.291
flat angles C4'-P-C4' energy: -17.199
flat angles P-C4'-P energy: -16.068
tors. eta vs tors. theta energy: -23.848
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: 7
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -330.419091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.419091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.419091 (E_RNA)
where:
Base-Base interactions energy: -220.669
where: short stacking energy: -98.146
Base-Backbone interact. energy: -0.227
local terms energy: -109.523012
where:
bonds (distance) C4'-P energy: -21.362
bonds (distance) P-C4' energy: -21.120
flat angles C4'-P-C4' energy: -23.051
flat angles P-C4'-P energy: -17.089
tors. eta vs tors. theta energy: -26.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -300.671314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.671314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.671314 (E_RNA)
where:
Base-Base interactions energy: -210.473
where: short stacking energy: -83.995
Base-Backbone interact. energy: -0.167
local terms energy: -90.030921
where:
bonds (distance) C4'-P energy: -17.110
bonds (distance) P-C4' energy: -21.312
flat angles C4'-P-C4' energy: -19.973
flat angles P-C4'-P energy: -11.018
tors. eta vs tors. theta energy: -20.618
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: 4, replica: 3
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -317.498297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.498297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.498297 (E_RNA)
where:
Base-Base interactions energy: -213.727
where: short stacking energy: -82.492
Base-Backbone interact. energy: -0.445
local terms energy: -103.325755
where:
bonds (distance) C4'-P energy: -23.730
bonds (distance) P-C4' energy: -20.426
flat angles C4'-P-C4' energy: -22.861
flat angles P-C4'-P energy: -14.700
tors. eta vs tors. theta energy: -21.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -284.973883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.973883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.973883 (E_RNA)
where:
Base-Base interactions energy: -190.853
where: short stacking energy: -79.370
Base-Backbone interact. energy: 0.844
local terms energy: -94.965545
where:
bonds (distance) C4'-P energy: -18.853
bonds (distance) P-C4' energy: -13.511
flat angles C4'-P-C4' energy: -23.211
flat angles P-C4'-P energy: -15.668
tors. eta vs tors. theta energy: -23.722
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: 8
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -271.965873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.965873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.965873 (E_RNA)
where:
Base-Base interactions energy: -185.547
where: short stacking energy: -67.125
Base-Backbone interact. energy: 1.175
local terms energy: -87.592964
where:
bonds (distance) C4'-P energy: -15.102
bonds (distance) P-C4' energy: -23.230
flat angles C4'-P-C4' energy: -18.542
flat angles P-C4'-P energy: -13.904
tors. eta vs tors. theta energy: -16.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -183.527314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.527314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.527314 (E_RNA)
where:
Base-Base interactions energy: -109.358
where: short stacking energy: -48.673
Base-Backbone interact. energy: -0.094
local terms energy: -74.075737
where:
bonds (distance) C4'-P energy: -20.431
bonds (distance) P-C4' energy: -16.120
flat angles C4'-P-C4' energy: -15.743
flat angles P-C4'-P energy: -13.662
tors. eta vs tors. theta energy: -8.119
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: 9
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -118.095595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.095595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.095595 (E_RNA)
where:
Base-Base interactions energy: -52.830
where: short stacking energy: -41.339
Base-Backbone interact. energy: -0.019
local terms energy: -65.246749
where:
bonds (distance) C4'-P energy: -16.066
bonds (distance) P-C4' energy: -20.594
flat angles C4'-P-C4' energy: -18.958
flat angles P-C4'-P energy: -4.611
tors. eta vs tors. theta energy: -5.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -101.619465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.619465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.619465 (E_RNA)
where:
Base-Base interactions energy: -43.377
where: short stacking energy: -31.874
Base-Backbone interact. energy: -1.089
local terms energy: -57.152988
where:
bonds (distance) C4'-P energy: -18.970
bonds (distance) P-C4' energy: -17.998
flat angles C4'-P-C4' energy: -11.913
flat angles P-C4'-P energy: -11.382
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: 10, replica: 1
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -97.714279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.714279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.714279 (E_RNA)
where:
Base-Base interactions energy: -37.210
where: short stacking energy: -37.210
Base-Backbone interact. energy: -0.212
local terms energy: -60.292440
where:
bonds (distance) C4'-P energy: -11.636
bonds (distance) P-C4' energy: -15.599
flat angles C4'-P-C4' energy: -20.495
flat angles P-C4'-P energy: -7.773
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: 1, replica: 7
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -333.338942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.338942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.338942 (E_RNA)
where:
Base-Base interactions energy: -225.921
where: short stacking energy: -99.865
Base-Backbone interact. energy: -0.162
local terms energy: -107.256574
where:
bonds (distance) C4'-P energy: -20.332
bonds (distance) P-C4' energy: -20.714
flat angles C4'-P-C4' energy: -23.561
flat angles P-C4'-P energy: -12.598
tors. eta vs tors. theta energy: -30.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -326.766919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.766919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.766919 (E_RNA)
where:
Base-Base interactions energy: -227.200
where: short stacking energy: -93.862
Base-Backbone interact. energy: -0.150
local terms energy: -99.417736
where:
bonds (distance) C4'-P energy: -20.589
bonds (distance) P-C4' energy: -20.296
flat angles C4'-P-C4' energy: -19.755
flat angles P-C4'-P energy: -14.213
tors. eta vs tors. theta energy: -24.565
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: 10
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -304.123599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.123599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.123599 (E_RNA)
where:
Base-Base interactions energy: -209.484
where: short stacking energy: -79.928
Base-Backbone interact. energy: -0.194
local terms energy: -94.446037
where:
bonds (distance) C4'-P energy: -18.506
bonds (distance) P-C4' energy: -21.871
flat angles C4'-P-C4' energy: -21.749
flat angles P-C4'-P energy: -7.785
tors. eta vs tors. theta energy: -24.535
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: 3
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -309.671033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.671033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.671033 (E_RNA)
where:
Base-Base interactions energy: -216.940
where: short stacking energy: -88.417
Base-Backbone interact. energy: -0.150
local terms energy: -92.580481
where:
bonds (distance) C4'-P energy: -22.807
bonds (distance) P-C4' energy: -14.453
flat angles C4'-P-C4' energy: -24.089
flat angles P-C4'-P energy: -5.841
tors. eta vs tors. theta energy: -25.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -265.946021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.946021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.946021 (E_RNA)
where:
Base-Base interactions energy: -183.276
where: short stacking energy: -75.820
Base-Backbone interact. energy: -0.613
local terms energy: -82.057708
where:
bonds (distance) C4'-P energy: -20.447
bonds (distance) P-C4' energy: -13.444
flat angles C4'-P-C4' energy: -20.687
flat angles P-C4'-P energy: -9.379
tors. eta vs tors. theta energy: -18.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -290.028038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.028038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.028038 (E_RNA)
where:
Base-Base interactions energy: -196.012
where: short stacking energy: -79.114
Base-Backbone interact. energy: -0.410
local terms energy: -93.606303
where:
bonds (distance) C4'-P energy: -18.707
bonds (distance) P-C4' energy: -23.188
flat angles C4'-P-C4' energy: -13.051
flat angles P-C4'-P energy: -11.265
tors. eta vs tors. theta energy: -27.394
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: 6
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -181.727731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.727731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.727731 (E_RNA)
where:
Base-Base interactions energy: -104.588
where: short stacking energy: -64.807
Base-Backbone interact. energy: -0.177
local terms energy: -76.962549
where:
bonds (distance) C4'-P energy: -16.261
bonds (distance) P-C4' energy: -18.608
flat angles C4'-P-C4' energy: -20.245
flat angles P-C4'-P energy: -10.747
tors. eta vs tors. theta energy: -11.101
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: 266
Temperature: 1.250000
Total energy: -118.068069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.068069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.068069 (E_RNA)
where:
Base-Base interactions energy: -60.946
where: short stacking energy: -40.873
Base-Backbone interact. energy: 0.505
local terms energy: -57.627199
where:
bonds (distance) C4'-P energy: -18.340
bonds (distance) P-C4' energy: -16.595
flat angles C4'-P-C4' energy: -17.964
flat angles P-C4'-P energy: -6.797
tors. eta vs tors. theta energy: 2.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -106.388534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.388534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.388534 (E_RNA)
where:
Base-Base interactions energy: -43.874
where: short stacking energy: -40.476
Base-Backbone interact. energy: -0.244
local terms energy: -62.270344
where:
bonds (distance) C4'-P energy: -14.320
bonds (distance) P-C4' energy: -19.039
flat angles C4'-P-C4' energy: -19.882
flat angles P-C4'-P energy: -10.592
tors. eta vs tors. theta energy: 1.563
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: 10, replica: 4
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -96.408040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.408040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.408040 (E_RNA)
where:
Base-Base interactions energy: -38.751
where: short stacking energy: -33.892
Base-Backbone interact. energy: 5.803
local terms energy: -63.460699
where:
bonds (distance) C4'-P energy: -13.129
bonds (distance) P-C4' energy: -19.576
flat angles C4'-P-C4' energy: -18.375
flat angles P-C4'-P energy: -11.081
tors. eta vs tors. theta energy: -1.299
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: 7
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -331.218793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.218793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.218793 (E_RNA)
where:
Base-Base interactions energy: -228.988
where: short stacking energy: -94.717
Base-Backbone interact. energy: -0.683
local terms energy: -101.548123
where:
bonds (distance) C4'-P energy: -17.066
bonds (distance) P-C4' energy: -17.788
flat angles C4'-P-C4' energy: -22.935
flat angles P-C4'-P energy: -18.497
tors. eta vs tors. theta energy: -25.261
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: 10
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -312.528870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.528870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.528870 (E_RNA)
where:
Base-Base interactions energy: -218.660
where: short stacking energy: -89.670
Base-Backbone interact. energy: -0.537
local terms energy: -93.331295
where:
bonds (distance) C4'-P energy: -24.508
bonds (distance) P-C4' energy: -18.692
flat angles C4'-P-C4' energy: -21.036
flat angles P-C4'-P energy: -11.187
tors. eta vs tors. theta energy: -17.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -327.179209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.179209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.179209 (E_RNA)
where:
Base-Base interactions energy: -219.901
where: short stacking energy: -96.027
Base-Backbone interact. energy: -0.109
local terms energy: -107.169319
where:
bonds (distance) C4'-P energy: -24.848
bonds (distance) P-C4' energy: -22.772
flat angles C4'-P-C4' energy: -17.575
flat angles P-C4'-P energy: -12.128
tors. eta vs tors. theta energy: -29.847
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: 3
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -297.773316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.773316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.773316 (E_RNA)
where:
Base-Base interactions energy: -202.846
where: short stacking energy: -84.932
Base-Backbone interact. energy: -0.199
local terms energy: -94.728233
where:
bonds (distance) C4'-P energy: -14.730
bonds (distance) P-C4' energy: -18.710
flat angles C4'-P-C4' energy: -20.745
flat angles P-C4'-P energy: -13.753
tors. eta vs tors. theta energy: -26.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -269.545452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.545452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.545452 (E_RNA)
where:
Base-Base interactions energy: -184.381
where: short stacking energy: -77.636
Base-Backbone interact. energy: -0.274
local terms energy: -84.890504
where:
bonds (distance) C4'-P energy: -19.208
bonds (distance) P-C4' energy: -13.054
flat angles C4'-P-C4' energy: -19.704
flat angles P-C4'-P energy: -15.416
tors. eta vs tors. theta energy: -17.508
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: 267
Temperature: 1.150000
Total energy: -275.845221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.845221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.845221 (E_RNA)
where:
Base-Base interactions energy: -178.755
where: short stacking energy: -72.756
Base-Backbone interact. energy: -0.017
local terms energy: -97.072694
where:
bonds (distance) C4'-P energy: -22.021
bonds (distance) P-C4' energy: -19.624
flat angles C4'-P-C4' energy: -17.509
flat angles P-C4'-P energy: -12.465
tors. eta vs tors. theta energy: -25.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -190.166372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.166372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.166372 (E_RNA)
where:
Base-Base interactions energy: -106.553
where: short stacking energy: -60.225
Base-Backbone interact. energy: -0.400
local terms energy: -83.213198
where:
bonds (distance) C4'-P energy: -21.055
bonds (distance) P-C4' energy: -20.285
flat angles C4'-P-C4' energy: -21.059
flat angles P-C4'-P energy: -8.512
tors. eta vs tors. theta energy: -12.303
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: 8, replica: 1
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -106.110726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.110726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.110726 (E_RNA)
where:
Base-Base interactions energy: -33.786
where: short stacking energy: -33.786
Base-Backbone interact. energy: 0.320
local terms energy: -72.645674
where:
bonds (distance) C4'-P energy: -22.129
bonds (distance) P-C4' energy: -18.944
flat angles C4'-P-C4' energy: -15.727
flat angles P-C4'-P energy: -12.057
tors. eta vs tors. theta energy: -3.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -114.031064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.031064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.031064 (E_RNA)
where:
Base-Base interactions energy: -52.652
where: short stacking energy: -40.837
Base-Backbone interact. energy: -0.424
local terms energy: -60.955339
where:
bonds (distance) C4'-P energy: -17.880
bonds (distance) P-C4' energy: -16.818
flat angles C4'-P-C4' energy: -15.858
flat angles P-C4'-P energy: -11.367
tors. eta vs tors. theta energy: 0.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -105.551338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.551338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.551338 (E_RNA)
where:
Base-Base interactions energy: -44.349
where: short stacking energy: -32.187
Base-Backbone interact. energy: 0.539
local terms energy: -61.741541
where:
bonds (distance) C4'-P energy: -18.542
bonds (distance) P-C4' energy: -19.663
flat angles C4'-P-C4' energy: -20.758
flat angles P-C4'-P energy: -2.321
tors. eta vs tors. theta energy: -0.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -319.352326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.352326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.352326 (E_RNA)
where:
Base-Base interactions energy: -215.236
where: short stacking energy: -92.379
Base-Backbone interact. energy: -0.149
local terms energy: -103.966738
where:
bonds (distance) C4'-P energy: -22.778
bonds (distance) P-C4' energy: -23.487
flat angles C4'-P-C4' energy: -21.233
flat angles P-C4'-P energy: -11.219
tors. eta vs tors. theta energy: -25.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -331.099182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.099182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.099182 (E_RNA)
where:
Base-Base interactions energy: -232.678
where: short stacking energy: -107.968
Base-Backbone interact. energy: -0.191
local terms energy: -98.229709
where:
bonds (distance) C4'-P energy: -17.350
bonds (distance) P-C4' energy: -17.803
flat angles C4'-P-C4' energy: -20.157
flat angles P-C4'-P energy: -10.746
tors. eta vs tors. theta energy: -32.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -315.816395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.816395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.816395 (E_RNA)
where:
Base-Base interactions energy: -213.360
where: short stacking energy: -87.279
Base-Backbone interact. energy: -0.334
local terms energy: -102.122469
where:
bonds (distance) C4'-P energy: -20.666
bonds (distance) P-C4' energy: -23.050
flat angles C4'-P-C4' energy: -17.614
flat angles P-C4'-P energy: -15.357
tors. eta vs tors. theta energy: -25.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -331.036616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.036616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.036616 (E_RNA)
where:
Base-Base interactions energy: -223.239
where: short stacking energy: -89.339
Base-Backbone interact. energy: -0.149
local terms energy: -107.648450
where:
bonds (distance) C4'-P energy: -21.991
bonds (distance) P-C4' energy: -21.206
flat angles C4'-P-C4' energy: -24.633
flat angles P-C4'-P energy: -13.028
tors. eta vs tors. theta energy: -26.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -278.231689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.231689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.231689 (E_RNA)
where:
Base-Base interactions energy: -186.054
where: short stacking energy: -78.175
Base-Backbone interact. energy: 0.627
local terms energy: -92.804124
where:
bonds (distance) C4'-P energy: -20.468
bonds (distance) P-C4' energy: -18.691
flat angles C4'-P-C4' energy: -20.674
flat angles P-C4'-P energy: -12.914
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: 6, replica: 8
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -246.275323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.275323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.275323 (E_RNA)
where:
Base-Base interactions energy: -178.497
where: short stacking energy: -69.937
Base-Backbone interact. energy: 0.120
local terms energy: -67.898631
where:
bonds (distance) C4'-P energy: -8.392
bonds (distance) P-C4' energy: -18.212
flat angles C4'-P-C4' energy: -17.632
flat angles P-C4'-P energy: -10.445
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: 7, replica: 6
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -181.074398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.074398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.074398 (E_RNA)
where:
Base-Base interactions energy: -102.270
where: short stacking energy: -55.623
Base-Backbone interact. energy: -0.164
local terms energy: -78.640403
where:
bonds (distance) C4'-P energy: -18.406
bonds (distance) P-C4' energy: -16.862
flat angles C4'-P-C4' energy: -19.946
flat angles P-C4'-P energy: -11.392
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: 8, replica: 1
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -118.971757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.971757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.971757 (E_RNA)
where:
Base-Base interactions energy: -41.242
where: short stacking energy: -39.638
Base-Backbone interact. energy: 0.378
local terms energy: -78.107804
where:
bonds (distance) C4'-P energy: -21.416
bonds (distance) P-C4' energy: -20.932
flat angles C4'-P-C4' energy: -16.778
flat angles P-C4'-P energy: -14.936
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: 4
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -110.272986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.272986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.272986 (E_RNA)
where:
Base-Base interactions energy: -42.344
where: short stacking energy: -33.630
Base-Backbone interact. energy: -0.086
local terms energy: -67.843001
where:
bonds (distance) C4'-P energy: -16.592
bonds (distance) P-C4' energy: -18.583
flat angles C4'-P-C4' energy: -18.075
flat angles P-C4'-P energy: -10.344
tors. eta vs tors. theta energy: -4.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -97.586877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.586877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.586877 (E_RNA)
where:
Base-Base interactions energy: -31.972
where: short stacking energy: -22.805
Base-Backbone interact. energy: -0.299
local terms energy: -65.316358
where:
bonds (distance) C4'-P energy: -12.759
bonds (distance) P-C4' energy: -19.219
flat angles C4'-P-C4' energy: -20.757
flat angles P-C4'-P energy: -10.377
tors. eta vs tors. theta energy: -2.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -314.535314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.535314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.535314 (E_RNA)
where:
Base-Base interactions energy: -219.078
where: short stacking energy: -83.230
Base-Backbone interact. energy: -0.537
local terms energy: -94.920107
where:
bonds (distance) C4'-P energy: -19.192
bonds (distance) P-C4' energy: -21.976
flat angles C4'-P-C4' energy: -22.851
flat angles P-C4'-P energy: -11.556
tors. eta vs tors. theta energy: -19.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -325.767035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.767035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.767035 (E_RNA)
where:
Base-Base interactions energy: -224.024
where: short stacking energy: -96.976
Base-Backbone interact. energy: 1.942
local terms energy: -103.685210
where:
bonds (distance) C4'-P energy: -16.592
bonds (distance) P-C4' energy: -21.358
flat angles C4'-P-C4' energy: -25.586
flat angles P-C4'-P energy: -13.293
tors. eta vs tors. theta energy: -26.855
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: 2
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -321.616113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.616113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.616113 (E_RNA)
where:
Base-Base interactions energy: -222.579
where: short stacking energy: -100.552
Base-Backbone interact. energy: -0.746
local terms energy: -98.291179
where:
bonds (distance) C4'-P energy: -14.411
bonds (distance) P-C4' energy: -19.105
flat angles C4'-P-C4' energy: -22.584
flat angles P-C4'-P energy: -16.112
tors. eta vs tors. theta energy: -26.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -288.084635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.084635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.084635 (E_RNA)
where:
Base-Base interactions energy: -196.097
where: short stacking energy: -83.110
Base-Backbone interact. energy: -0.652
local terms energy: -91.336525
where:
bonds (distance) C4'-P energy: -19.691
bonds (distance) P-C4' energy: -16.468
flat angles C4'-P-C4' energy: -21.334
flat angles P-C4'-P energy: -10.589
tors. eta vs tors. theta energy: -23.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -306.687629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.687629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.687629 (E_RNA)
where:
Base-Base interactions energy: -200.226
where: short stacking energy: -75.714
Base-Backbone interact. energy: -0.715
local terms energy: -105.746985
where:
bonds (distance) C4'-P energy: -21.209
bonds (distance) P-C4' energy: -24.377
flat angles C4'-P-C4' energy: -23.116
flat angles P-C4'-P energy: -13.518
tors. eta vs tors. theta energy: -23.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -251.757645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.757645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.757645 (E_RNA)
where:
Base-Base interactions energy: -180.247
where: short stacking energy: -77.315
Base-Backbone interact. energy: -0.358
local terms energy: -71.153152
where:
bonds (distance) C4'-P energy: -16.269
bonds (distance) P-C4' energy: -18.915
flat angles C4'-P-C4' energy: -12.640
flat angles P-C4'-P energy: -9.054
tors. eta vs tors. theta energy: -14.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -175.937568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.937568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.937568 (E_RNA)
where:
Base-Base interactions energy: -96.437
where: short stacking energy: -46.648
Base-Backbone interact. energy: -0.070
local terms energy: -79.430613
where:
bonds (distance) C4'-P energy: -20.523
bonds (distance) P-C4' energy: -21.827
flat angles C4'-P-C4' energy: -15.722
flat angles P-C4'-P energy: -11.377
tors. eta vs tors. theta energy: -9.981
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: 4
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -106.678173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.678173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.678173 (E_RNA)
where:
Base-Base interactions energy: -44.101
where: short stacking energy: -26.275
Base-Backbone interact. energy: -1.668
local terms energy: -60.908976
where:
bonds (distance) C4'-P energy: -16.937
bonds (distance) P-C4' energy: -22.355
flat angles C4'-P-C4' energy: -8.660
flat angles P-C4'-P energy: -13.679
tors. eta vs tors. theta energy: 0.723
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: 1
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -110.952722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.952722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.952722 (E_RNA)
where:
Base-Base interactions energy: -49.184
where: short stacking energy: -37.637
Base-Backbone interact. energy: -0.787
local terms energy: -60.982108
where:
bonds (distance) C4'-P energy: -12.171
bonds (distance) P-C4' energy: -19.667
flat angles C4'-P-C4' energy: -14.675
flat angles P-C4'-P energy: -10.190
tors. eta vs tors. theta energy: -4.280
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: 9
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -99.644532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.644532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.644532 (E_RNA)
where:
Base-Base interactions energy: -37.232
where: short stacking energy: -23.293
Base-Backbone interact. energy: -0.638
local terms energy: -61.774026
where:
bonds (distance) C4'-P energy: -14.758
bonds (distance) P-C4' energy: -19.257
flat angles C4'-P-C4' energy: -16.704
flat angles P-C4'-P energy: -12.448
tors. eta vs tors. theta energy: 1.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -330.155786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.155786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.155786 (E_RNA)
where:
Base-Base interactions energy: -227.580
where: short stacking energy: -105.125
Base-Backbone interact. energy: -0.010
local terms energy: -102.565747
where:
bonds (distance) C4'-P energy: -19.494
bonds (distance) P-C4' energy: -18.506
flat angles C4'-P-C4' energy: -21.422
flat angles P-C4'-P energy: -16.865
tors. eta vs tors. theta energy: -26.279
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: 10
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -314.798592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.798592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.798592 (E_RNA)
where:
Base-Base interactions energy: -220.019
where: short stacking energy: -89.943
Base-Backbone interact. energy: -0.488
local terms energy: -94.292109
where:
bonds (distance) C4'-P energy: -21.071
bonds (distance) P-C4' energy: -22.025
flat angles C4'-P-C4' energy: -22.415
flat angles P-C4'-P energy: -7.912
tors. eta vs tors. theta energy: -20.869
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: 2
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -317.199544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.199544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.199544 (E_RNA)
where:
Base-Base interactions energy: -213.220
where: short stacking energy: -84.488
Base-Backbone interact. energy: -0.222
local terms energy: -103.758031
where:
bonds (distance) C4'-P energy: -19.289
bonds (distance) P-C4' energy: -21.544
flat angles C4'-P-C4' energy: -22.673
flat angles P-C4'-P energy: -15.421
tors. eta vs tors. theta energy: -24.831
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: 5
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -283.913033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.913033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.913033 (E_RNA)
where:
Base-Base interactions energy: -191.560
where: short stacking energy: -80.726
Base-Backbone interact. energy: -0.146
local terms energy: -92.207443
where:
bonds (distance) C4'-P energy: -22.510
bonds (distance) P-C4' energy: -18.592
flat angles C4'-P-C4' energy: -21.534
flat angles P-C4'-P energy: -8.868
tors. eta vs tors. theta energy: -20.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -297.155036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.155036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.155036 (E_RNA)
where:
Base-Base interactions energy: -199.951
where: short stacking energy: -90.147
Base-Backbone interact. energy: -0.120
local terms energy: -97.084283
where:
bonds (distance) C4'-P energy: -19.512
bonds (distance) P-C4' energy: -15.578
flat angles C4'-P-C4' energy: -20.670
flat angles P-C4'-P energy: -12.805
tors. eta vs tors. theta energy: -28.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -252.404657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.404657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.404657 (E_RNA)
where:
Base-Base interactions energy: -174.444
where: short stacking energy: -70.392
Base-Backbone interact. energy: 1.785
local terms energy: -79.746448
where:
bonds (distance) C4'-P energy: -14.185
bonds (distance) P-C4' energy: -16.793
flat angles C4'-P-C4' energy: -22.483
flat angles P-C4'-P energy: -9.402
tors. eta vs tors. theta energy: -16.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -175.212137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.212137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.212137 (E_RNA)
where:
Base-Base interactions energy: -102.174
where: short stacking energy: -58.604
Base-Backbone interact. energy: -0.219
local terms energy: -72.818413
where:
bonds (distance) C4'-P energy: -19.566
bonds (distance) P-C4' energy: -17.407
flat angles C4'-P-C4' energy: -17.421
flat angles P-C4'-P energy: -8.450
tors. eta vs tors. theta energy: -9.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -118.492814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.492814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.492814 (E_RNA)
where:
Base-Base interactions energy: -49.609
where: short stacking energy: -48.110
Base-Backbone interact. energy: -0.102
local terms energy: -68.781708
where:
bonds (distance) C4'-P energy: -21.573
bonds (distance) P-C4' energy: -16.850
flat angles C4'-P-C4' energy: -15.722
flat angles P-C4'-P energy: -5.434
tors. eta vs tors. theta energy: -9.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -117.885233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.885233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.885233 (E_RNA)
where:
Base-Base interactions energy: -57.847
where: short stacking energy: -38.723
Base-Backbone interact. energy: 1.243
local terms energy: -61.281450
where:
bonds (distance) C4'-P energy: -20.041
bonds (distance) P-C4' energy: -14.008
flat angles C4'-P-C4' energy: -16.972
flat angles P-C4'-P energy: -11.285
tors. eta vs tors. theta energy: 1.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -112.787131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.787131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.787131 (E_RNA)
where:
Base-Base interactions energy: -46.949
where: short stacking energy: -46.949
Base-Backbone interact. energy: -0.193
local terms energy: -65.645082
where:
bonds (distance) C4'-P energy: -16.821
bonds (distance) P-C4' energy: -15.916
flat angles C4'-P-C4' energy: -13.951
flat angles P-C4'-P energy: -10.984
tors. eta vs tors. theta energy: -7.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -340.044142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.044142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.044142 (E_RNA)
where:
Base-Base interactions energy: -230.411
where: short stacking energy: -100.547
Base-Backbone interact. energy: -0.100
local terms energy: -109.532877
where:
bonds (distance) C4'-P energy: -20.457
bonds (distance) P-C4' energy: -20.368
flat angles C4'-P-C4' energy: -24.018
flat angles P-C4'-P energy: -16.739
tors. eta vs tors. theta energy: -27.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -315.557042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.557042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.557042 (E_RNA)
where:
Base-Base interactions energy: -219.773
where: short stacking energy: -94.403
Base-Backbone interact. energy: -0.237
local terms energy: -95.546500
where:
bonds (distance) C4'-P energy: -18.468
bonds (distance) P-C4' energy: -20.185
flat angles C4'-P-C4' energy: -20.379
flat angles P-C4'-P energy: -11.614
tors. eta vs tors. theta energy: -24.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -303.584137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.584137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.584137 (E_RNA)
where:
Base-Base interactions energy: -204.110
where: short stacking energy: -82.153
Base-Backbone interact. energy: -0.584
local terms energy: -98.890146
where:
bonds (distance) C4'-P energy: -19.742
bonds (distance) P-C4' energy: -21.020
flat angles C4'-P-C4' energy: -22.457
flat angles P-C4'-P energy: -13.626
tors. eta vs tors. theta energy: -22.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -291.953041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.953041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.953041 (E_RNA)
where:
Base-Base interactions energy: -195.337
where: short stacking energy: -82.164
Base-Backbone interact. energy: -1.145
local terms energy: -95.470713
where:
bonds (distance) C4'-P energy: -21.681
bonds (distance) P-C4' energy: -16.966
flat angles C4'-P-C4' energy: -17.216
flat angles P-C4'-P energy: -16.995
tors. eta vs tors. theta energy: -22.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -263.898932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.898932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.898932 (E_RNA)
where:
Base-Base interactions energy: -177.866
where: short stacking energy: -66.445
Base-Backbone interact. energy: -0.219
local terms energy: -85.813979
where:
bonds (distance) C4'-P energy: -20.568
bonds (distance) P-C4' energy: -17.737
flat angles C4'-P-C4' energy: -20.506
flat angles P-C4'-P energy: -11.185
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: 6, replica: 8
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -257.448801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.448801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.448801 (E_RNA)
where:
Base-Base interactions energy: -177.257
where: short stacking energy: -58.376
Base-Backbone interact. energy: -0.374
local terms energy: -79.818049
where:
bonds (distance) C4'-P energy: -16.519
bonds (distance) P-C4' energy: -21.033
flat angles C4'-P-C4' energy: -15.536
flat angles P-C4'-P energy: -7.832
tors. eta vs tors. theta energy: -18.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -199.115799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.115799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.115799 (E_RNA)
where:
Base-Base interactions energy: -125.965
where: short stacking energy: -45.185
Base-Backbone interact. energy: -0.679
local terms energy: -72.471889
where:
bonds (distance) C4'-P energy: -16.008
bonds (distance) P-C4' energy: -19.002
flat angles C4'-P-C4' energy: -18.730
flat angles P-C4'-P energy: -10.652
tors. eta vs tors. theta energy: -8.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -140.735068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.735068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.735068 (E_RNA)
where:
Base-Base interactions energy: -73.625
where: short stacking energy: -36.728
Base-Backbone interact. energy: -0.155
local terms energy: -66.955866
where:
bonds (distance) C4'-P energy: -16.203
bonds (distance) P-C4' energy: -23.040
flat angles C4'-P-C4' energy: -15.268
flat angles P-C4'-P energy: -9.322
tors. eta vs tors. theta energy: -3.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -106.613312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.613312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.613312 (E_RNA)
where:
Base-Base interactions energy: -41.999
where: short stacking energy: -27.589
Base-Backbone interact. energy: -1.221
local terms energy: -63.392609
where:
bonds (distance) C4'-P energy: -14.575
bonds (distance) P-C4' energy: -20.855
flat angles C4'-P-C4' energy: -17.648
flat angles P-C4'-P energy: -8.773
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: 1
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -120.690347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.690347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.690347 (E_RNA)
where:
Base-Base interactions energy: -46.298
where: short stacking energy: -45.294
Base-Backbone interact. energy: -0.119
local terms energy: -74.273552
where:
bonds (distance) C4'-P energy: -19.657
bonds (distance) P-C4' energy: -20.150
flat angles C4'-P-C4' energy: -15.528
flat angles P-C4'-P energy: -12.766
tors. eta vs tors. theta energy: -6.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -326.080256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.080256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.080256 (E_RNA)
where:
Base-Base interactions energy: -224.470
where: short stacking energy: -96.288
Base-Backbone interact. energy: -1.877
local terms energy: -99.733308
where:
bonds (distance) C4'-P energy: -21.512
bonds (distance) P-C4' energy: -18.129
flat angles C4'-P-C4' energy: -20.583
flat angles P-C4'-P energy: -14.348
tors. eta vs tors. theta energy: -25.161
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: 7
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -318.682987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.682987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.682987 (E_RNA)
where:
Base-Base interactions energy: -211.188
where: short stacking energy: -89.227
Base-Backbone interact. energy: -0.640
local terms energy: -106.854561
where:
bonds (distance) C4'-P energy: -18.687
bonds (distance) P-C4' energy: -22.517
flat angles C4'-P-C4' energy: -21.101
flat angles P-C4'-P energy: -13.054
tors. eta vs tors. theta energy: -31.497
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: 3, replica: 3
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -301.404871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.404871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.404871 (E_RNA)
where:
Base-Base interactions energy: -197.533
where: short stacking energy: -91.086
Base-Backbone interact. energy: -0.005
local terms energy: -103.866887
where:
bonds (distance) C4'-P energy: -21.606
bonds (distance) P-C4' energy: -17.926
flat angles C4'-P-C4' energy: -23.310
flat angles P-C4'-P energy: -14.807
tors. eta vs tors. theta energy: -26.218
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: 10
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -300.442041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.442041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.442041 (E_RNA)
where:
Base-Base interactions energy: -206.993
where: short stacking energy: -89.785
Base-Backbone interact. energy: -0.027
local terms energy: -93.422059
where:
bonds (distance) C4'-P energy: -20.329
bonds (distance) P-C4' energy: -21.620
flat angles C4'-P-C4' energy: -20.245
flat angles P-C4'-P energy: -8.786
tors. eta vs tors. theta energy: -22.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -248.664849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.664849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.664849 (E_RNA)
where:
Base-Base interactions energy: -172.541
where: short stacking energy: -65.581
Base-Backbone interact. energy: 0.898
local terms energy: -77.022123
where:
bonds (distance) C4'-P energy: -19.677
bonds (distance) P-C4' energy: -16.598
flat angles C4'-P-C4' energy: -20.944
flat angles P-C4'-P energy: -9.628
tors. eta vs tors. theta energy: -10.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -270.080201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.080201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.080201 (E_RNA)
where:
Base-Base interactions energy: -184.028
where: short stacking energy: -71.026
Base-Backbone interact. energy: -0.014
local terms energy: -86.037438
where:
bonds (distance) C4'-P energy: -18.684
bonds (distance) P-C4' energy: -22.908
flat angles C4'-P-C4' energy: -14.341
flat angles P-C4'-P energy: -8.292
tors. eta vs tors. theta energy: -21.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -181.913431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.913431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.913431 (E_RNA)
where:
Base-Base interactions energy: -103.962
where: short stacking energy: -54.404
Base-Backbone interact. energy: 1.983
local terms energy: -79.934075
where:
bonds (distance) C4'-P energy: -21.076
bonds (distance) P-C4' energy: -19.382
flat angles C4'-P-C4' energy: -14.125
flat angles P-C4'-P energy: -11.583
tors. eta vs tors. theta energy: -13.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -113.581000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.581000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.581000 (E_RNA)
where:
Base-Base interactions energy: -37.825
where: short stacking energy: -27.885
Base-Backbone interact. energy: -0.229
local terms energy: -75.527025
where:
bonds (distance) C4'-P energy: -21.507
bonds (distance) P-C4' energy: -14.295
flat angles C4'-P-C4' energy: -15.496
flat angles P-C4'-P energy: -13.461
tors. eta vs tors. theta energy: -10.769
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: 1
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -102.812799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.812799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.812799 (E_RNA)
where:
Base-Base interactions energy: -34.708
where: short stacking energy: -35.608
Base-Backbone interact. energy: 0.031
local terms energy: -68.136563
where:
bonds (distance) C4'-P energy: -17.662
bonds (distance) P-C4' energy: -20.819
flat angles C4'-P-C4' energy: -12.835
flat angles P-C4'-P energy: -12.750
tors. eta vs tors. theta energy: -4.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -96.959835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.959835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.959835 (E_RNA)
where:
Base-Base interactions energy: -31.009
where: short stacking energy: -28.990
Base-Backbone interact. energy: -0.510
local terms energy: -65.441228
where:
bonds (distance) C4'-P energy: -21.387
bonds (distance) P-C4' energy: -17.758
flat angles C4'-P-C4' energy: -20.767
flat angles P-C4'-P energy: -5.726
tors. eta vs tors. theta energy: 0.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -333.658027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.658027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.658027 (E_RNA)
where:
Base-Base interactions energy: -225.749
where: short stacking energy: -95.551
Base-Backbone interact. energy: -0.299
local terms energy: -107.610845
where:
bonds (distance) C4'-P energy: -18.191
bonds (distance) P-C4' energy: -21.851
flat angles C4'-P-C4' energy: -21.754
flat angles P-C4'-P energy: -18.503
tors. eta vs tors. theta energy: -27.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -321.593087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.593087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.593087 (E_RNA)
where:
Base-Base interactions energy: -221.096
where: short stacking energy: -98.358
Base-Backbone interact. energy: -0.471
local terms energy: -100.026229
where:
bonds (distance) C4'-P energy: -17.564
bonds (distance) P-C4' energy: -19.903
flat angles C4'-P-C4' energy: -21.866
flat angles P-C4'-P energy: -12.288
tors. eta vs tors. theta energy: -28.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -296.386794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.386794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.386794 (E_RNA)
where:
Base-Base interactions energy: -199.173
where: short stacking energy: -92.670
Base-Backbone interact. energy: -0.065
local terms energy: -97.149345
where:
bonds (distance) C4'-P energy: -17.811
bonds (distance) P-C4' energy: -19.971
flat angles C4'-P-C4' energy: -17.940
flat angles P-C4'-P energy: -20.287
tors. eta vs tors. theta energy: -21.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -305.696787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.696787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.696787 (E_RNA)
where:
Base-Base interactions energy: -213.542
where: short stacking energy: -88.388
Base-Backbone interact. energy: -0.444
local terms energy: -91.709993
where:
bonds (distance) C4'-P energy: -18.780
bonds (distance) P-C4' energy: -22.557
flat angles C4'-P-C4' energy: -21.064
flat angles P-C4'-P energy: -9.103
tors. eta vs tors. theta energy: -20.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -257.977942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.977942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.977942 (E_RNA)
where:
Base-Base interactions energy: -181.414
where: short stacking energy: -68.049
Base-Backbone interact. energy: -0.669
local terms energy: -75.895293
where:
bonds (distance) C4'-P energy: -16.527
bonds (distance) P-C4' energy: -21.049
flat angles C4'-P-C4' energy: -17.495
flat angles P-C4'-P energy: -9.354
tors. eta vs tors. theta energy: -11.470
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: 6, replica: 5
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -278.756587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.756587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.756587 (E_RNA)
where:
Base-Base interactions energy: -193.195
where: short stacking energy: -77.107
Base-Backbone interact. energy: -0.729
local terms energy: -84.833468
where:
bonds (distance) C4'-P energy: -16.275
bonds (distance) P-C4' energy: -17.324
flat angles C4'-P-C4' energy: -21.452
flat angles P-C4'-P energy: -6.667
tors. eta vs tors. theta energy: -23.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -164.088767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.088767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.088767 (E_RNA)
where:
Base-Base interactions energy: -91.816
where: short stacking energy: -49.755
Base-Backbone interact. energy: -0.321
local terms energy: -71.951794
where:
bonds (distance) C4'-P energy: -16.316
bonds (distance) P-C4' energy: -17.203
flat angles C4'-P-C4' energy: -17.604
flat angles P-C4'-P energy: -12.752
tors. eta vs tors. theta energy: -8.078
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: 273
Temperature: 1.250000
Total energy: -118.602006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.602006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.602006 (E_RNA)
where:
Base-Base interactions energy: -43.085
where: short stacking energy: -43.085
Base-Backbone interact. energy: -0.214
local terms energy: -75.302351
where:
bonds (distance) C4'-P energy: -20.149
bonds (distance) P-C4' energy: -20.191
flat angles C4'-P-C4' energy: -12.611
flat angles P-C4'-P energy: -13.691
tors. eta vs tors. theta energy: -8.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -126.041284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.041284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.041284 (E_RNA)
where:
Base-Base interactions energy: -66.473
where: short stacking energy: -32.333
Base-Backbone interact. energy: -0.174
local terms energy: -59.394847
where:
bonds (distance) C4'-P energy: -19.084
bonds (distance) P-C4' energy: -16.117
flat angles C4'-P-C4' energy: -13.611
flat angles P-C4'-P energy: -11.050
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: 4
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -111.171727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.171727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.171727 (E_RNA)
where:
Base-Base interactions energy: -48.611
where: short stacking energy: -47.907
Base-Backbone interact. energy: -0.028
local terms energy: -62.532982
where:
bonds (distance) C4'-P energy: -13.198
bonds (distance) P-C4' energy: -16.919
flat angles C4'-P-C4' energy: -19.714
flat angles P-C4'-P energy: -3.439
tors. eta vs tors. theta energy: -9.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -326.567399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.567399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.567399 (E_RNA)
where:
Base-Base interactions energy: -222.304
where: short stacking energy: -91.274
Base-Backbone interact. energy: -0.195
local terms energy: -104.068297
where:
bonds (distance) C4'-P energy: -19.999
bonds (distance) P-C4' energy: -17.456
flat angles C4'-P-C4' energy: -21.764
flat angles P-C4'-P energy: -17.892
tors. eta vs tors. theta energy: -26.957
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: 2
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -311.227072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.227072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.227072 (E_RNA)
where:
Base-Base interactions energy: -212.885
where: short stacking energy: -90.795
Base-Backbone interact. energy: -0.549
local terms energy: -97.793188
where:
bonds (distance) C4'-P energy: -20.811
bonds (distance) P-C4' energy: -19.938
flat angles C4'-P-C4' energy: -22.061
flat angles P-C4'-P energy: -13.692
tors. eta vs tors. theta energy: -21.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -311.146193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.146193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.146193 (E_RNA)
where:
Base-Base interactions energy: -209.074
where: short stacking energy: -89.795
Base-Backbone interact. energy: -0.040
local terms energy: -102.032201
where:
bonds (distance) C4'-P energy: -21.424
bonds (distance) P-C4' energy: -21.874
flat angles C4'-P-C4' energy: -21.330
flat angles P-C4'-P energy: -16.334
tors. eta vs tors. theta energy: -21.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -284.577798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.577798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.577798 (E_RNA)
where:
Base-Base interactions energy: -189.227
where: short stacking energy: -80.189
Base-Backbone interact. energy: -0.004
local terms energy: -95.346793
where:
bonds (distance) C4'-P energy: -18.000
bonds (distance) P-C4' energy: -18.989
flat angles C4'-P-C4' energy: -24.600
flat angles P-C4'-P energy: -10.101
tors. eta vs tors. theta energy: -23.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -254.957645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.957645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.957645 (E_RNA)
where:
Base-Base interactions energy: -181.204
where: short stacking energy: -61.658
Base-Backbone interact. energy: -0.300
local terms energy: -73.453753
where:
bonds (distance) C4'-P energy: -13.230
bonds (distance) P-C4' energy: -18.016
flat angles C4'-P-C4' energy: -18.272
flat angles P-C4'-P energy: -11.908
tors. eta vs tors. theta energy: -12.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -296.436637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.436637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.436637 (E_RNA)
where:
Base-Base interactions energy: -203.693
where: short stacking energy: -84.704
Base-Backbone interact. energy: -0.192
local terms energy: -92.551905
where:
bonds (distance) C4'-P energy: -20.275
bonds (distance) P-C4' energy: -15.887
flat angles C4'-P-C4' energy: -18.308
flat angles P-C4'-P energy: -13.832
tors. eta vs tors. theta energy: -24.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -186.832410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.832410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.832410 (E_RNA)
where:
Base-Base interactions energy: -103.932
where: short stacking energy: -54.923
Base-Backbone interact. energy: -0.343
local terms energy: -82.556884
where:
bonds (distance) C4'-P energy: -18.080
bonds (distance) P-C4' energy: -21.552
flat angles C4'-P-C4' energy: -22.061
flat angles P-C4'-P energy: -7.511
tors. eta vs tors. theta energy: -13.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -103.799399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.799399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.799399 (E_RNA)
where:
Base-Base interactions energy: -38.714
where: short stacking energy: -38.714
Base-Backbone interact. energy: -0.131
local terms energy: -64.954202
where:
bonds (distance) C4'-P energy: -15.206
bonds (distance) P-C4' energy: -21.972
flat angles C4'-P-C4' energy: -11.721
flat angles P-C4'-P energy: -7.524
tors. eta vs tors. theta energy: -8.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -107.613570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.613570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.613570 (E_RNA)
where:
Base-Base interactions energy: -47.853
where: short stacking energy: -33.367
Base-Backbone interact. energy: 0.183
local terms energy: -59.943639
where:
bonds (distance) C4'-P energy: -18.202
bonds (distance) P-C4' energy: -16.002
flat angles C4'-P-C4' energy: -18.195
flat angles P-C4'-P energy: -9.829
tors. eta vs tors. theta energy: 2.284
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: 274
Temperature: 1.350000
Total energy: -117.981905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.981905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.981905 (E_RNA)
where:
Base-Base interactions energy: -51.233
where: short stacking energy: -23.645
Base-Backbone interact. energy: 2.174
local terms energy: -68.922980
where:
bonds (distance) C4'-P energy: -18.029
bonds (distance) P-C4' energy: -19.913
flat angles C4'-P-C4' energy: -14.987
flat angles P-C4'-P energy: -10.983
tors. eta vs tors. theta energy: -5.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -337.337745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.337745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.337745 (E_RNA)
where:
Base-Base interactions energy: -225.625
where: short stacking energy: -101.003
Base-Backbone interact. energy: -0.430
local terms energy: -111.282812
where:
bonds (distance) C4'-P energy: -22.827
bonds (distance) P-C4' energy: -22.355
flat angles C4'-P-C4' energy: -21.296
flat angles P-C4'-P energy: -16.197
tors. eta vs tors. theta energy: -28.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -316.699337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.699337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.699337 (E_RNA)
where:
Base-Base interactions energy: -212.441
where: short stacking energy: -90.185
Base-Backbone interact. energy: -1.096
local terms energy: -103.161918
where:
bonds (distance) C4'-P energy: -21.284
bonds (distance) P-C4' energy: -19.267
flat angles C4'-P-C4' energy: -22.556
flat angles P-C4'-P energy: -16.353
tors. eta vs tors. theta energy: -23.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -307.991104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.991104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.991104 (E_RNA)
where:
Base-Base interactions energy: -216.591
where: short stacking energy: -86.803
Base-Backbone interact. energy: -0.246
local terms energy: -91.153628
where:
bonds (distance) C4'-P energy: -19.888
bonds (distance) P-C4' energy: -22.272
flat angles C4'-P-C4' energy: -20.246
flat angles P-C4'-P energy: -8.804
tors. eta vs tors. theta energy: -19.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -297.152244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.152244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.152244 (E_RNA)
where:
Base-Base interactions energy: -200.471
where: short stacking energy: -89.480
Base-Backbone interact. energy: -0.751
local terms energy: -95.929902
where:
bonds (distance) C4'-P energy: -16.032
bonds (distance) P-C4' energy: -17.329
flat angles C4'-P-C4' energy: -22.867
flat angles P-C4'-P energy: -11.224
tors. eta vs tors. theta energy: -28.478
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: 8
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -271.169093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.169093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.169093 (E_RNA)
where:
Base-Base interactions energy: -187.722
where: short stacking energy: -76.925
Base-Backbone interact. energy: -1.202
local terms energy: -82.246048
where:
bonds (distance) C4'-P energy: -14.083
bonds (distance) P-C4' energy: -22.256
flat angles C4'-P-C4' energy: -17.464
flat angles P-C4'-P energy: -10.222
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: 6, replica: 5
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -273.761429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.761429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.761429 (E_RNA)
where:
Base-Base interactions energy: -188.100
where: short stacking energy: -84.485
Base-Backbone interact. energy: 0.449
local terms energy: -86.110390
where:
bonds (distance) C4'-P energy: -20.468
bonds (distance) P-C4' energy: -18.405
flat angles C4'-P-C4' energy: -13.853
flat angles P-C4'-P energy: -14.469
tors. eta vs tors. theta energy: -18.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -182.302028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.302028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.302028 (E_RNA)
where:
Base-Base interactions energy: -106.556
where: short stacking energy: -55.013
Base-Backbone interact. energy: -0.532
local terms energy: -75.214320
where:
bonds (distance) C4'-P energy: -18.535
bonds (distance) P-C4' energy: -18.323
flat angles C4'-P-C4' energy: -16.270
flat angles P-C4'-P energy: -7.821
tors. eta vs tors. theta energy: -14.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -113.978352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.978352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.978352 (E_RNA)
where:
Base-Base interactions energy: -49.775
where: short stacking energy: -46.853
Base-Backbone interact. energy: 0.496
local terms energy: -64.698838
where:
bonds (distance) C4'-P energy: -8.184
bonds (distance) P-C4' energy: -20.575
flat angles C4'-P-C4' energy: -21.028
flat angles P-C4'-P energy: -8.711
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: 9, replica: 1
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -113.546268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.546268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.546268 (E_RNA)
where:
Base-Base interactions energy: -54.531
where: short stacking energy: -37.821
Base-Backbone interact. energy: -0.323
local terms energy: -58.691899
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -14.843
flat angles C4'-P-C4' energy: -17.203
flat angles P-C4'-P energy: -14.993
tors. eta vs tors. theta energy: 3.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -111.149900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.149900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.149900 (E_RNA)
where:
Base-Base interactions energy: -44.703
where: short stacking energy: -39.799
Base-Backbone interact. energy: 4.355
local terms energy: -70.801799
where:
bonds (distance) C4'-P energy: -19.356
bonds (distance) P-C4' energy: -19.418
flat angles C4'-P-C4' energy: -18.509
flat angles P-C4'-P energy: -10.024
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: 1, replica: 2
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -324.137746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.137746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.137746 (E_RNA)
where:
Base-Base interactions energy: -221.049
where: short stacking energy: -91.537
Base-Backbone interact. energy: -0.681
local terms energy: -102.408231
where:
bonds (distance) C4'-P energy: -19.741
bonds (distance) P-C4' energy: -22.756
flat angles C4'-P-C4' energy: -22.908
flat angles P-C4'-P energy: -12.644
tors. eta vs tors. theta energy: -24.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -325.431846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.431846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.431846 (E_RNA)
where:
Base-Base interactions energy: -219.931
where: short stacking energy: -94.020
Base-Backbone interact. energy: -0.194
local terms energy: -105.306900
where:
bonds (distance) C4'-P energy: -21.275
bonds (distance) P-C4' energy: -19.009
flat angles C4'-P-C4' energy: -22.239
flat angles P-C4'-P energy: -16.407
tors. eta vs tors. theta energy: -26.377
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: 3
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -287.010983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.010983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.010983 (E_RNA)
where:
Base-Base interactions energy: -191.980
where: short stacking energy: -82.089
Base-Backbone interact. energy: -0.077
local terms energy: -94.953656
where:
bonds (distance) C4'-P energy: -21.548
bonds (distance) P-C4' energy: -18.284
flat angles C4'-P-C4' energy: -21.663
flat angles P-C4'-P energy: -9.739
tors. eta vs tors. theta energy: -23.720
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: 4, replica: 10
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -281.547842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.547842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.547842 (E_RNA)
where:
Base-Base interactions energy: -200.375
where: short stacking energy: -72.395
Base-Backbone interact. energy: -0.314
local terms energy: -80.858993
where:
bonds (distance) C4'-P energy: -13.033
bonds (distance) P-C4' energy: -16.060
flat angles C4'-P-C4' energy: -22.219
flat angles P-C4'-P energy: -9.611
tors. eta vs tors. theta energy: -19.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -291.845135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.845135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.845135 (E_RNA)
where:
Base-Base interactions energy: -204.017
where: short stacking energy: -81.932
Base-Backbone interact. energy: -0.243
local terms energy: -87.585168
where:
bonds (distance) C4'-P energy: -16.380
bonds (distance) P-C4' energy: -19.486
flat angles C4'-P-C4' energy: -21.744
flat angles P-C4'-P energy: -4.908
tors. eta vs tors. theta energy: -25.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -255.099204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.099204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.099204 (E_RNA)
where:
Base-Base interactions energy: -173.409
where: short stacking energy: -59.091
Base-Backbone interact. energy: -0.518
local terms energy: -81.171954
where:
bonds (distance) C4'-P energy: -20.915
bonds (distance) P-C4' energy: -20.281
flat angles C4'-P-C4' energy: -21.643
flat angles P-C4'-P energy: -6.862
tors. eta vs tors. theta energy: -11.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -182.201936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.201936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.201936 (E_RNA)
where:
Base-Base interactions energy: -110.518
where: short stacking energy: -53.472
Base-Backbone interact. energy: 0.416
local terms energy: -72.100618
where:
bonds (distance) C4'-P energy: -12.649
bonds (distance) P-C4' energy: -13.044
flat angles C4'-P-C4' energy: -23.614
flat angles P-C4'-P energy: -12.596
tors. eta vs tors. theta energy: -10.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -119.384066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.384066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.384066 (E_RNA)
where:
Base-Base interactions energy: -44.615
where: short stacking energy: -44.615
Base-Backbone interact. energy: -0.244
local terms energy: -74.525315
where:
bonds (distance) C4'-P energy: -9.937
bonds (distance) P-C4' energy: -19.504
flat angles C4'-P-C4' energy: -17.741
flat angles P-C4'-P energy: -17.241
tors. eta vs tors. theta energy: -10.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -106.710388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.710388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.710388 (E_RNA)
where:
Base-Base interactions energy: -39.467
where: short stacking energy: -34.908
Base-Backbone interact. energy: 0.299
local terms energy: -67.542326
where:
bonds (distance) C4'-P energy: -12.304
bonds (distance) P-C4' energy: -18.482
flat angles C4'-P-C4' energy: -19.338
flat angles P-C4'-P energy: -11.911
tors. eta vs tors. theta energy: -5.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -103.003835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.003835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.003835 (E_RNA)
where:
Base-Base interactions energy: -44.604
where: short stacking energy: -40.951
Base-Backbone interact. energy: -0.481
local terms energy: -57.919743
where:
bonds (distance) C4'-P energy: -22.894
bonds (distance) P-C4' energy: -18.535
flat angles C4'-P-C4' energy: -15.176
flat angles P-C4'-P energy: -1.702
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: 1, replica: 2
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -332.375850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.375850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.375850 (E_RNA)
where:
Base-Base interactions energy: -240.026
where: short stacking energy: -103.974
Base-Backbone interact. energy: -0.092
local terms energy: -92.258242
where:
bonds (distance) C4'-P energy: -18.923
bonds (distance) P-C4' energy: -16.363
flat angles C4'-P-C4' energy: -20.435
flat angles P-C4'-P energy: -10.614
tors. eta vs tors. theta energy: -25.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -319.422690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.422690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.422690 (E_RNA)
where:
Base-Base interactions energy: -218.131
where: short stacking energy: -91.406
Base-Backbone interact. energy: -0.107
local terms energy: -101.184335
where:
bonds (distance) C4'-P energy: -22.910
bonds (distance) P-C4' energy: -18.819
flat angles C4'-P-C4' energy: -21.744
flat angles P-C4'-P energy: -11.775
tors. eta vs tors. theta energy: -25.937
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: 3
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -297.543866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.543866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.543866 (E_RNA)
where:
Base-Base interactions energy: -205.509
where: short stacking energy: -86.876
Base-Backbone interact. energy: -0.163
local terms energy: -91.871529
where:
bonds (distance) C4'-P energy: -15.790
bonds (distance) P-C4' energy: -22.617
flat angles C4'-P-C4' energy: -14.555
flat angles P-C4'-P energy: -12.231
tors. eta vs tors. theta energy: -26.678
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: 10
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -280.266841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.266841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.266841 (E_RNA)
where:
Base-Base interactions energy: -189.772
where: short stacking energy: -71.484
Base-Backbone interact. energy: -0.110
local terms energy: -90.385037
where:
bonds (distance) C4'-P energy: -15.843
bonds (distance) P-C4' energy: -17.859
flat angles C4'-P-C4' energy: -20.636
flat angles P-C4'-P energy: -14.041
tors. eta vs tors. theta energy: -22.006
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: 5
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -274.448753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.448753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.448753 (E_RNA)
where:
Base-Base interactions energy: -177.660
where: short stacking energy: -79.132
Base-Backbone interact. energy: -0.044
local terms energy: -96.744996
where:
bonds (distance) C4'-P energy: -22.509
bonds (distance) P-C4' energy: -22.971
flat angles C4'-P-C4' energy: -17.305
flat angles P-C4'-P energy: -14.112
tors. eta vs tors. theta energy: -19.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -258.188559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.188559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.188559 (E_RNA)
where:
Base-Base interactions energy: -181.129
where: short stacking energy: -73.803
Base-Backbone interact. energy: -0.466
local terms energy: -76.593481
where:
bonds (distance) C4'-P energy: -17.844
bonds (distance) P-C4' energy: -17.826
flat angles C4'-P-C4' energy: -8.637
flat angles P-C4'-P energy: -14.019
tors. eta vs tors. theta energy: -18.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -157.830730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.830730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.830730 (E_RNA)
where:
Base-Base interactions energy: -84.584
where: short stacking energy: -58.158
Base-Backbone interact. energy: -0.036
local terms energy: -73.210604
where:
bonds (distance) C4'-P energy: -19.055
bonds (distance) P-C4' energy: -10.957
flat angles C4'-P-C4' energy: -18.595
flat angles P-C4'-P energy: -11.531
tors. eta vs tors. theta energy: -13.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -104.542729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.542729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.542729 (E_RNA)
where:
Base-Base interactions energy: -46.350
where: short stacking energy: -15.976
Base-Backbone interact. energy: 0.033
local terms energy: -58.226098
where:
bonds (distance) C4'-P energy: -15.587
bonds (distance) P-C4' energy: -21.265
flat angles C4'-P-C4' energy: -12.906
flat angles P-C4'-P energy: -12.621
tors. eta vs tors. theta energy: 4.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -111.059016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.059016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.059016 (E_RNA)
where:
Base-Base interactions energy: -48.627
where: short stacking energy: -30.030
Base-Backbone interact. energy: -0.457
local terms energy: -61.974996
where:
bonds (distance) C4'-P energy: -13.208
bonds (distance) P-C4' energy: -20.202
flat angles C4'-P-C4' energy: -18.233
flat angles P-C4'-P energy: -6.105
tors. eta vs tors. theta energy: -4.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -90.805002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.805002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.805002 (E_RNA)
where:
Base-Base interactions energy: -35.975
where: short stacking energy: -27.618
Base-Backbone interact. energy: -0.219
local terms energy: -54.610857
where:
bonds (distance) C4'-P energy: -16.077
bonds (distance) P-C4' energy: -16.554
flat angles C4'-P-C4' energy: -15.366
flat angles P-C4'-P energy: -9.427
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: 7
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -321.238477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.238477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.238477 (E_RNA)
where:
Base-Base interactions energy: -219.428
where: short stacking energy: -89.483
Base-Backbone interact. energy: -0.832
local terms energy: -100.977960
where:
bonds (distance) C4'-P energy: -15.810
bonds (distance) P-C4' energy: -19.688
flat angles C4'-P-C4' energy: -21.099
flat angles P-C4'-P energy: -16.296
tors. eta vs tors. theta energy: -28.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -331.924185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.924185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.924185 (E_RNA)
where:
Base-Base interactions energy: -229.355
where: short stacking energy: -100.792
Base-Backbone interact. energy: -0.628
local terms energy: -101.941612
where:
bonds (distance) C4'-P energy: -16.502
bonds (distance) P-C4' energy: -19.052
flat angles C4'-P-C4' energy: -21.771
flat angles P-C4'-P energy: -17.727
tors. eta vs tors. theta energy: -26.890
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: 278
Temperature: 1.000000
Total energy: -295.860250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.860250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.860250 (E_RNA)
where:
Base-Base interactions energy: -199.255
where: short stacking energy: -86.247
Base-Backbone interact. energy: -0.014
local terms energy: -96.590652
where:
bonds (distance) C4'-P energy: -20.132
bonds (distance) P-C4' energy: -17.636
flat angles C4'-P-C4' energy: -18.961
flat angles P-C4'-P energy: -13.892
tors. eta vs tors. theta energy: -25.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -279.475285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.475285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.475285 (E_RNA)
where:
Base-Base interactions energy: -188.112
where: short stacking energy: -78.520
Base-Backbone interact. energy: -0.005
local terms energy: -91.358459
where:
bonds (distance) C4'-P energy: -20.132
bonds (distance) P-C4' energy: -21.762
flat angles C4'-P-C4' energy: -16.660
flat angles P-C4'-P energy: -14.060
tors. eta vs tors. theta energy: -18.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -266.895795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.895795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.895795 (E_RNA)
where:
Base-Base interactions energy: -188.061
where: short stacking energy: -67.098
Base-Backbone interact. energy: -0.333
local terms energy: -78.501865
where:
bonds (distance) C4'-P energy: -15.615
bonds (distance) P-C4' energy: -18.744
flat angles C4'-P-C4' energy: -15.574
flat angles P-C4'-P energy: -16.102
tors. eta vs tors. theta energy: -12.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -268.026986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.026986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.026986 (E_RNA)
where:
Base-Base interactions energy: -178.724
where: short stacking energy: -75.725
Base-Backbone interact. energy: 0.172
local terms energy: -89.475511
where:
bonds (distance) C4'-P energy: -15.276
bonds (distance) P-C4' energy: -21.388
flat angles C4'-P-C4' energy: -18.919
flat angles P-C4'-P energy: -11.775
tors. eta vs tors. theta energy: -22.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -119.814929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.814929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.814929 (E_RNA)
where:
Base-Base interactions energy: -58.994
where: short stacking energy: -41.019
Base-Backbone interact. energy: 0.024
local terms energy: -60.845417
where:
bonds (distance) C4'-P energy: -12.906
bonds (distance) P-C4' energy: -16.885
flat angles C4'-P-C4' energy: -11.794
flat angles P-C4'-P energy: -13.466
tors. eta vs tors. theta energy: -5.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -118.645494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.645494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.645494 (E_RNA)
where:
Base-Base interactions energy: -52.959
where: short stacking energy: -52.628
Base-Backbone interact. energy: -0.209
local terms energy: -65.477402
where:
bonds (distance) C4'-P energy: -13.161
bonds (distance) P-C4' energy: -17.566
flat angles C4'-P-C4' energy: -14.409
flat angles P-C4'-P energy: -13.163
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: 9, replica: 1
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -98.994385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.994385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.994385 (E_RNA)
where:
Base-Base interactions energy: -35.700
where: short stacking energy: -35.700
Base-Backbone interact. energy: -0.309
local terms energy: -62.985646
where:
bonds (distance) C4'-P energy: -19.342
bonds (distance) P-C4' energy: -18.344
flat angles C4'-P-C4' energy: -14.355
flat angles P-C4'-P energy: -10.005
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: 10, replica: 4
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -103.653261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.653261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.653261 (E_RNA)
where:
Base-Base interactions energy: -46.711
where: short stacking energy: -45.414
Base-Backbone interact. energy: -0.067
local terms energy: -56.875076
where:
bonds (distance) C4'-P energy: -12.572
bonds (distance) P-C4' energy: -23.576
flat angles C4'-P-C4' energy: -14.537
flat angles P-C4'-P energy: -5.088
tors. eta vs tors. theta energy: -1.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -329.946430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.946430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.946430 (E_RNA)
where:
Base-Base interactions energy: -228.326
where: short stacking energy: -87.498
Base-Backbone interact. energy: -0.497
local terms energy: -101.122784
where:
bonds (distance) C4'-P energy: -21.694
bonds (distance) P-C4' energy: -23.750
flat angles C4'-P-C4' energy: -21.318
flat angles P-C4'-P energy: -12.434
tors. eta vs tors. theta energy: -21.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -323.079974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.079974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.079974 (E_RNA)
where:
Base-Base interactions energy: -222.530
where: short stacking energy: -100.088
Base-Backbone interact. energy: -0.514
local terms energy: -100.035498
where:
bonds (distance) C4'-P energy: -13.644
bonds (distance) P-C4' energy: -22.461
flat angles C4'-P-C4' energy: -21.309
flat angles P-C4'-P energy: -14.171
tors. eta vs tors. theta energy: -28.451
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: 3
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -294.315187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.315187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.315187 (E_RNA)
where:
Base-Base interactions energy: -198.582
where: short stacking energy: -87.649
Base-Backbone interact. energy: -0.050
local terms energy: -95.682835
where:
bonds (distance) C4'-P energy: -17.407
bonds (distance) P-C4' energy: -19.574
flat angles C4'-P-C4' energy: -20.439
flat angles P-C4'-P energy: -14.992
tors. eta vs tors. theta energy: -23.270
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: 10
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -280.943434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.943434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.943434 (E_RNA)
where:
Base-Base interactions energy: -193.920
where: short stacking energy: -82.507
Base-Backbone interact. energy: -0.007
local terms energy: -87.016445
where:
bonds (distance) C4'-P energy: -20.369
bonds (distance) P-C4' energy: -20.524
flat angles C4'-P-C4' energy: -16.531
flat angles P-C4'-P energy: -9.191
tors. eta vs tors. theta energy: -20.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -266.328006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.328006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.328006 (E_RNA)
where:
Base-Base interactions energy: -184.183
where: short stacking energy: -76.340
Base-Backbone interact. energy: -0.177
local terms energy: -81.968559
where:
bonds (distance) C4'-P energy: -15.426
bonds (distance) P-C4' energy: -18.723
flat angles C4'-P-C4' energy: -19.257
flat angles P-C4'-P energy: -9.714
tors. eta vs tors. theta energy: -18.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -262.315833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.315833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.315833 (E_RNA)
where:
Base-Base interactions energy: -180.972
where: short stacking energy: -74.183
Base-Backbone interact. energy: 0.569
local terms energy: -81.913278
where:
bonds (distance) C4'-P energy: -16.469
bonds (distance) P-C4' energy: -20.982
flat angles C4'-P-C4' energy: -18.319
flat angles P-C4'-P energy: -9.753
tors. eta vs tors. theta energy: -16.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -103.185521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.185521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.185521 (E_RNA)
where:
Base-Base interactions energy: -31.798
where: short stacking energy: -29.774
Base-Backbone interact. energy: -0.171
local terms energy: -71.216424
where:
bonds (distance) C4'-P energy: -12.826
bonds (distance) P-C4' energy: -25.129
flat angles C4'-P-C4' energy: -16.747
flat angles P-C4'-P energy: -13.452
tors. eta vs tors. theta energy: -3.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -124.956221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.956221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.956221 (E_RNA)
where:
Base-Base interactions energy: -51.235
where: short stacking energy: -29.042
Base-Backbone interact. energy: -0.433
local terms energy: -73.289002
where:
bonds (distance) C4'-P energy: -21.866
bonds (distance) P-C4' energy: -20.069
flat angles C4'-P-C4' energy: -16.975
flat angles P-C4'-P energy: -12.305
tors. eta vs tors. theta energy: -2.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -98.988291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.988291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.988291 (E_RNA)
where:
Base-Base interactions energy: -38.589
where: short stacking energy: -35.017
Base-Backbone interact. energy: 0.001
local terms energy: -60.400343
where:
bonds (distance) C4'-P energy: -11.995
bonds (distance) P-C4' energy: -15.883
flat angles C4'-P-C4' energy: -15.482
flat angles P-C4'-P energy: -12.585
tors. eta vs tors. theta energy: -4.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -91.707119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.707119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.707119 (E_RNA)
where:
Base-Base interactions energy: -31.405
where: short stacking energy: -31.405
Base-Backbone interact. energy: 1.278
local terms energy: -61.579752
where:
bonds (distance) C4'-P energy: -16.710
bonds (distance) P-C4' energy: -18.591
flat angles C4'-P-C4' energy: -19.477
flat angles P-C4'-P energy: -3.712
tors. eta vs tors. theta energy: -3.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -335.876487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.876487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.876487 (E_RNA)
where:
Base-Base interactions energy: -228.387
where: short stacking energy: -103.909
Base-Backbone interact. energy: -0.649
local terms energy: -106.840598
where:
bonds (distance) C4'-P energy: -22.177
bonds (distance) P-C4' energy: -20.107
flat angles C4'-P-C4' energy: -22.365
flat angles P-C4'-P energy: -14.903
tors. eta vs tors. theta energy: -27.289
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: 7
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -321.051086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.051086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.051086 (E_RNA)
where:
Base-Base interactions energy: -222.650
where: short stacking energy: -89.044
Base-Backbone interact. energy: -0.927
local terms energy: -97.474401
where:
bonds (distance) C4'-P energy: -16.961
bonds (distance) P-C4' energy: -21.139
flat angles C4'-P-C4' energy: -17.266
flat angles P-C4'-P energy: -14.481
tors. eta vs tors. theta energy: -27.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -292.132877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.132877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.132877 (E_RNA)
where:
Base-Base interactions energy: -197.237
where: short stacking energy: -82.225
Base-Backbone interact. energy: -0.001
local terms energy: -94.894544
where:
bonds (distance) C4'-P energy: -19.985
bonds (distance) P-C4' energy: -18.228
flat angles C4'-P-C4' energy: -19.895
flat angles P-C4'-P energy: -11.181
tors. eta vs tors. theta energy: -25.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -299.251730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.251730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.251730 (E_RNA)
where:
Base-Base interactions energy: -199.443
where: short stacking energy: -86.153
Base-Backbone interact. energy: -0.008
local terms energy: -99.800283
where:
bonds (distance) C4'-P energy: -19.511
bonds (distance) P-C4' energy: -20.754
flat angles C4'-P-C4' energy: -20.637
flat angles P-C4'-P energy: -15.221
tors. eta vs tors. theta energy: -23.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -288.302423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.302423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.302423 (E_RNA)
where:
Base-Base interactions energy: -211.800
where: short stacking energy: -83.134
Base-Backbone interact. energy: 0.820
local terms energy: -77.322257
where:
bonds (distance) C4'-P energy: -15.073
bonds (distance) P-C4' energy: -17.954
flat angles C4'-P-C4' energy: -18.922
flat angles P-C4'-P energy: -7.027
tors. eta vs tors. theta energy: -18.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -258.238101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.238101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.238101 (E_RNA)
where:
Base-Base interactions energy: -177.583
where: short stacking energy: -71.391
Base-Backbone interact. energy: -0.402
local terms energy: -80.253202
where:
bonds (distance) C4'-P energy: -18.614
bonds (distance) P-C4' energy: -21.671
flat angles C4'-P-C4' energy: -14.546
flat angles P-C4'-P energy: -13.720
tors. eta vs tors. theta energy: -11.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -123.745219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.745219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.745219 (E_RNA)
where:
Base-Base interactions energy: -45.162
where: short stacking energy: -44.063
Base-Backbone interact. energy: -0.282
local terms energy: -78.301327
where:
bonds (distance) C4'-P energy: -19.451
bonds (distance) P-C4' energy: -23.448
flat angles C4'-P-C4' energy: -21.869
flat angles P-C4'-P energy: -6.434
tors. eta vs tors. theta energy: -7.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -107.793266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.793266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.793266 (E_RNA)
where:
Base-Base interactions energy: -45.278
where: short stacking energy: -39.268
Base-Backbone interact. energy: -0.363
local terms energy: -62.151960
where:
bonds (distance) C4'-P energy: -12.462
bonds (distance) P-C4' energy: -21.039
flat angles C4'-P-C4' energy: -16.400
flat angles P-C4'-P energy: -8.232
tors. eta vs tors. theta energy: -4.019
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: 4
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -103.546226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.546226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.546226 (E_RNA)
where:
Base-Base interactions energy: -42.504
where: short stacking energy: -30.689
Base-Backbone interact. energy: -1.628
local terms energy: -59.414354
where:
bonds (distance) C4'-P energy: -19.690
bonds (distance) P-C4' energy: -18.160
flat angles C4'-P-C4' energy: -13.055
flat angles P-C4'-P energy: -10.527
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: 9
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -100.834659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.834659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.834659 (E_RNA)
where:
Base-Base interactions energy: -41.303
where: short stacking energy: -35.749
Base-Backbone interact. energy: -0.210
local terms energy: -59.321763
where:
bonds (distance) C4'-P energy: -9.027
bonds (distance) P-C4' energy: -19.235
flat angles C4'-P-C4' energy: -18.553
flat angles P-C4'-P energy: -10.343
tors. eta vs tors. theta energy: -2.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -326.713957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.713957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.713957 (E_RNA)
where:
Base-Base interactions energy: -223.925
where: short stacking energy: -101.323
Base-Backbone interact. energy: -0.227
local terms energy: -102.561548
where:
bonds (distance) C4'-P energy: -18.166
bonds (distance) P-C4' energy: -17.352
flat angles C4'-P-C4' energy: -22.803
flat angles P-C4'-P energy: -15.659
tors. eta vs tors. theta energy: -28.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -323.933471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.933471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.933471 (E_RNA)
where:
Base-Base interactions energy: -218.945
where: short stacking energy: -98.391
Base-Backbone interact. energy: -0.189
local terms energy: -104.799291
where:
bonds (distance) C4'-P energy: -19.491
bonds (distance) P-C4' energy: -20.288
flat angles C4'-P-C4' energy: -21.132
flat angles P-C4'-P energy: -13.810
tors. eta vs tors. theta energy: -30.078
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: 10
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -297.955265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.955265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.955265 (E_RNA)
where:
Base-Base interactions energy: -203.408
where: short stacking energy: -82.512
Base-Backbone interact. energy: -1.134
local terms energy: -93.412618
where:
bonds (distance) C4'-P energy: -16.033
bonds (distance) P-C4' energy: -16.659
flat angles C4'-P-C4' energy: -20.596
flat angles P-C4'-P energy: -14.705
tors. eta vs tors. theta energy: -25.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -285.060298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.060298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.060298 (E_RNA)
where:
Base-Base interactions energy: -196.751
where: short stacking energy: -81.068
Base-Backbone interact. energy: 1.409
local terms energy: -89.717952
where:
bonds (distance) C4'-P energy: -17.244
bonds (distance) P-C4' energy: -17.778
flat angles C4'-P-C4' energy: -20.961
flat angles P-C4'-P energy: -15.688
tors. eta vs tors. theta energy: -18.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -284.270999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.270999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.270999 (E_RNA)
where:
Base-Base interactions energy: -196.892
where: short stacking energy: -75.921
Base-Backbone interact. energy: -0.143
local terms energy: -87.235512
where:
bonds (distance) C4'-P energy: -22.485
bonds (distance) P-C4' energy: -21.602
flat angles C4'-P-C4' energy: -17.571
flat angles P-C4'-P energy: -6.592
tors. eta vs tors. theta energy: -18.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -286.090624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.090624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.090624 (E_RNA)
where:
Base-Base interactions energy: -200.926
where: short stacking energy: -80.719
Base-Backbone interact. energy: 0.318
local terms energy: -85.482380
where:
bonds (distance) C4'-P energy: -17.400
bonds (distance) P-C4' energy: -15.207
flat angles C4'-P-C4' energy: -19.554
flat angles P-C4'-P energy: -14.649
tors. eta vs tors. theta energy: -18.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -171.588148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.588148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.588148 (E_RNA)
where:
Base-Base interactions energy: -98.661
where: short stacking energy: -53.115
Base-Backbone interact. energy: -0.269
local terms energy: -72.658384
where:
bonds (distance) C4'-P energy: -15.740
bonds (distance) P-C4' energy: -19.817
flat angles C4'-P-C4' energy: -13.936
flat angles P-C4'-P energy: -13.435
tors. eta vs tors. theta energy: -9.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -106.615689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.615689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.615689 (E_RNA)
where:
Base-Base interactions energy: -29.022
where: short stacking energy: -29.022
Base-Backbone interact. energy: -0.217
local terms energy: -77.376939
where:
bonds (distance) C4'-P energy: -19.388
bonds (distance) P-C4' energy: -23.584
flat angles C4'-P-C4' energy: -19.376
flat angles P-C4'-P energy: -9.309
tors. eta vs tors. theta energy: -5.720
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: 6
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -114.195703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.195703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.195703 (E_RNA)
where:
Base-Base interactions energy: -46.310
where: short stacking energy: -37.591
Base-Backbone interact. energy: 1.680
local terms energy: -69.566124
where:
bonds (distance) C4'-P energy: -20.593
bonds (distance) P-C4' energy: -20.315
flat angles C4'-P-C4' energy: -20.735
flat angles P-C4'-P energy: -7.859
tors. eta vs tors. theta energy: -0.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -98.773254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.773254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.773254 (E_RNA)
where:
Base-Base interactions energy: -35.764
where: short stacking energy: -35.764
Base-Backbone interact. energy: -0.012
local terms energy: -62.997512
where:
bonds (distance) C4'-P energy: -14.514
bonds (distance) P-C4' energy: -19.440
flat angles C4'-P-C4' energy: -14.342
flat angles P-C4'-P energy: -4.978
tors. eta vs tors. theta energy: -9.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -330.345858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.345858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.345858 (E_RNA)
where:
Base-Base interactions energy: -223.352
where: short stacking energy: -98.119
Base-Backbone interact. energy: -0.620
local terms energy: -106.373864
where:
bonds (distance) C4'-P energy: -20.410
bonds (distance) P-C4' energy: -21.453
flat angles C4'-P-C4' energy: -20.327
flat angles P-C4'-P energy: -15.792
tors. eta vs tors. theta energy: -28.393
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: 2
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -327.168843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.168843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.168843 (E_RNA)
where:
Base-Base interactions energy: -228.140
where: short stacking energy: -99.954
Base-Backbone interact. energy: -0.038
local terms energy: -98.990869
where:
bonds (distance) C4'-P energy: -17.653
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -21.052
flat angles P-C4'-P energy: -15.805
tors. eta vs tors. theta energy: -28.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -293.782166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.782166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.782166 (E_RNA)
where:
Base-Base interactions energy: -204.482
where: short stacking energy: -84.644
Base-Backbone interact. energy: 0.792
local terms energy: -90.092101
where:
bonds (distance) C4'-P energy: -15.520
bonds (distance) P-C4' energy: -19.481
flat angles C4'-P-C4' energy: -20.881
flat angles P-C4'-P energy: -13.202
tors. eta vs tors. theta energy: -21.007
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: 10
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -317.112394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.112394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.112394 (E_RNA)
where:
Base-Base interactions energy: -227.461
where: short stacking energy: -93.370
Base-Backbone interact. energy: -0.169
local terms energy: -89.482567
where:
bonds (distance) C4'-P energy: -15.884
bonds (distance) P-C4' energy: -18.487
flat angles C4'-P-C4' energy: -16.988
flat angles P-C4'-P energy: -9.730
tors. eta vs tors. theta energy: -28.393
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: 5
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -278.868433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.868433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.868433 (E_RNA)
where:
Base-Base interactions energy: -191.817
where: short stacking energy: -80.622
Base-Backbone interact. energy: -0.034
local terms energy: -87.017653
where:
bonds (distance) C4'-P energy: -20.680
bonds (distance) P-C4' energy: -14.225
flat angles C4'-P-C4' energy: -19.284
flat angles P-C4'-P energy: -10.719
tors. eta vs tors. theta energy: -22.111
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: 6, replica: 8
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -283.774650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.774650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.774650 (E_RNA)
where:
Base-Base interactions energy: -192.157
where: short stacking energy: -74.260
Base-Backbone interact. energy: -0.352
local terms energy: -91.266350
where:
bonds (distance) C4'-P energy: -18.617
bonds (distance) P-C4' energy: -19.659
flat angles C4'-P-C4' energy: -16.956
flat angles P-C4'-P energy: -15.466
tors. eta vs tors. theta energy: -20.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -144.664487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.664487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.664487 (E_RNA)
where:
Base-Base interactions energy: -80.540
where: short stacking energy: -36.669
Base-Backbone interact. energy: -1.210
local terms energy: -62.914035
where:
bonds (distance) C4'-P energy: -17.976
bonds (distance) P-C4' energy: -17.386
flat angles C4'-P-C4' energy: -18.126
flat angles P-C4'-P energy: -9.608
tors. eta vs tors. theta energy: 0.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -112.687044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.687044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.687044 (E_RNA)
where:
Base-Base interactions energy: -45.765
where: short stacking energy: -33.107
Base-Backbone interact. energy: -0.123
local terms energy: -66.799821
where:
bonds (distance) C4'-P energy: -16.606
bonds (distance) P-C4' energy: -15.729
flat angles C4'-P-C4' energy: -18.117
flat angles P-C4'-P energy: -14.583
tors. eta vs tors. theta energy: -1.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -101.361495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.361495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.361495 (E_RNA)
where:
Base-Base interactions energy: -37.308
where: short stacking energy: -34.593
Base-Backbone interact. energy: -1.189
local terms energy: -62.864831
where:
bonds (distance) C4'-P energy: -19.220
bonds (distance) P-C4' energy: -9.406
flat angles C4'-P-C4' energy: -21.511
flat angles P-C4'-P energy: -11.190
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: 10, replica: 6
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -100.713996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.713996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.713996 (E_RNA)
where:
Base-Base interactions energy: -36.866
where: short stacking energy: -30.117
Base-Backbone interact. energy: 2.343
local terms energy: -66.190775
where:
bonds (distance) C4'-P energy: -23.387
bonds (distance) P-C4' energy: -19.061
flat angles C4'-P-C4' energy: -11.799
flat angles P-C4'-P energy: -8.832
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: 1, replica: 7
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -331.651625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.651625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.651625 (E_RNA)
where:
Base-Base interactions energy: -224.945
where: short stacking energy: -101.597
Base-Backbone interact. energy: -0.074
local terms energy: -106.632438
where:
bonds (distance) C4'-P energy: -18.716
bonds (distance) P-C4' energy: -23.130
flat angles C4'-P-C4' energy: -20.431
flat angles P-C4'-P energy: -17.276
tors. eta vs tors. theta energy: -27.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -324.595370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.595370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.595370 (E_RNA)
where:
Base-Base interactions energy: -215.470
where: short stacking energy: -99.864
Base-Backbone interact. energy: -0.386
local terms energy: -108.739036
where:
bonds (distance) C4'-P energy: -22.433
bonds (distance) P-C4' energy: -21.589
flat angles C4'-P-C4' energy: -20.858
flat angles P-C4'-P energy: -14.412
tors. eta vs tors. theta energy: -29.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -306.795360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.795360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.795360 (E_RNA)
where:
Base-Base interactions energy: -213.037
where: short stacking energy: -84.550
Base-Backbone interact. energy: -0.865
local terms energy: -92.892741
where:
bonds (distance) C4'-P energy: -14.398
bonds (distance) P-C4' energy: -19.852
flat angles C4'-P-C4' energy: -18.285
flat angles P-C4'-P energy: -16.730
tors. eta vs tors. theta energy: -23.627
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: 283
Temperature: 1.050000
Total energy: -304.967889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.967889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.967889 (E_RNA)
where:
Base-Base interactions energy: -216.769
where: short stacking energy: -88.995
Base-Backbone interact. energy: -0.113
local terms energy: -88.086108
where:
bonds (distance) C4'-P energy: -13.884
bonds (distance) P-C4' energy: -21.555
flat angles C4'-P-C4' energy: -21.869
flat angles P-C4'-P energy: -6.209
tors. eta vs tors. theta energy: -24.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -267.129840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.129840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.129840 (E_RNA)
where:
Base-Base interactions energy: -182.865
where: short stacking energy: -69.907
Base-Backbone interact. energy: 1.368
local terms energy: -85.632395
where:
bonds (distance) C4'-P energy: -17.495
bonds (distance) P-C4' energy: -20.230
flat angles C4'-P-C4' energy: -19.138
flat angles P-C4'-P energy: -14.840
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: 8
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -263.025804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.025804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.025804 (E_RNA)
where:
Base-Base interactions energy: -176.459
where: short stacking energy: -78.225
Base-Backbone interact. energy: -0.593
local terms energy: -85.973319
where:
bonds (distance) C4'-P energy: -17.495
bonds (distance) P-C4' energy: -17.770
flat angles C4'-P-C4' energy: -19.441
flat angles P-C4'-P energy: -13.219
tors. eta vs tors. theta energy: -18.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -123.995530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.995530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.995530 (E_RNA)
where:
Base-Base interactions energy: -57.130
where: short stacking energy: -47.785
Base-Backbone interact. energy: 2.028
local terms energy: -68.893498
where:
bonds (distance) C4'-P energy: -18.610
bonds (distance) P-C4' energy: -19.488
flat angles C4'-P-C4' energy: -16.296
flat angles P-C4'-P energy: -8.019
tors. eta vs tors. theta energy: -6.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -128.583852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.583852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.583852 (E_RNA)
where:
Base-Base interactions energy: -66.343
where: short stacking energy: -44.366
Base-Backbone interact. energy: -0.309
local terms energy: -61.931678
where:
bonds (distance) C4'-P energy: -12.938
bonds (distance) P-C4' energy: -20.197
flat angles C4'-P-C4' energy: -9.621
flat angles P-C4'-P energy: -15.027
tors. eta vs tors. theta energy: -4.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -102.844945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.844945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.844945 (E_RNA)
where:
Base-Base interactions energy: -40.697
where: short stacking energy: -34.379
Base-Backbone interact. energy: -0.154
local terms energy: -61.993565
where:
bonds (distance) C4'-P energy: -14.965
bonds (distance) P-C4' energy: -23.813
flat angles C4'-P-C4' energy: -7.232
flat angles P-C4'-P energy: -13.207
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: 6
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -114.587034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.587034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.587034 (E_RNA)
where:
Base-Base interactions energy: -55.443
where: short stacking energy: -44.032
Base-Backbone interact. energy: -0.540
local terms energy: -58.603051
where:
bonds (distance) C4'-P energy: -12.147
bonds (distance) P-C4' energy: -21.567
flat angles C4'-P-C4' energy: -16.717
flat angles P-C4'-P energy: -5.452
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: 1, replica: 7
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -337.240984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.240984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.240984 (E_RNA)
where:
Base-Base interactions energy: -239.445
where: short stacking energy: -103.924
Base-Backbone interact. energy: -0.249
local terms energy: -97.547172
where:
bonds (distance) C4'-P energy: -16.431
bonds (distance) P-C4' energy: -20.746
flat angles C4'-P-C4' energy: -19.928
flat angles P-C4'-P energy: -13.763
tors. eta vs tors. theta energy: -26.679
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: 2
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -321.966066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.966066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.966066 (E_RNA)
where:
Base-Base interactions energy: -215.384
where: short stacking energy: -96.577
Base-Backbone interact. energy: -0.821
local terms energy: -105.760910
where:
bonds (distance) C4'-P energy: -19.565
bonds (distance) P-C4' energy: -20.964
flat angles C4'-P-C4' energy: -19.458
flat angles P-C4'-P energy: -15.666
tors. eta vs tors. theta energy: -30.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -301.061677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.061677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.061677 (E_RNA)
where:
Base-Base interactions energy: -208.586
where: short stacking energy: -86.943
Base-Backbone interact. energy: 0.029
local terms energy: -92.504281
where:
bonds (distance) C4'-P energy: -18.996
bonds (distance) P-C4' energy: -15.242
flat angles C4'-P-C4' energy: -21.148
flat angles P-C4'-P energy: -16.145
tors. eta vs tors. theta energy: -20.974
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: 284
Temperature: 1.050000
Total energy: -303.401260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.401260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.401260 (E_RNA)
where:
Base-Base interactions energy: -208.875
where: short stacking energy: -77.151
Base-Backbone interact. energy: -0.365
local terms energy: -94.161220
where:
bonds (distance) C4'-P energy: -17.739
bonds (distance) P-C4' energy: -20.635
flat angles C4'-P-C4' energy: -19.125
flat angles P-C4'-P energy: -10.201
tors. eta vs tors. theta energy: -26.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -275.549229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.549229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.549229 (E_RNA)
where:
Base-Base interactions energy: -197.609
where: short stacking energy: -79.083
Base-Backbone interact. energy: -0.088
local terms energy: -77.852387
where:
bonds (distance) C4'-P energy: -12.998
bonds (distance) P-C4' energy: -17.228
flat angles C4'-P-C4' energy: -18.780
flat angles P-C4'-P energy: -9.427
tors. eta vs tors. theta energy: -19.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -240.957677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.957677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.957677 (E_RNA)
where:
Base-Base interactions energy: -155.876
where: short stacking energy: -62.405
Base-Backbone interact. energy: -0.233
local terms energy: -84.848385
where:
bonds (distance) C4'-P energy: -20.729
bonds (distance) P-C4' energy: -20.812
flat angles C4'-P-C4' energy: -19.244
flat angles P-C4'-P energy: -15.017
tors. eta vs tors. theta energy: -9.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -114.929403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.929403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.929403 (E_RNA)
where:
Base-Base interactions energy: -47.269
where: short stacking energy: -20.020
Base-Backbone interact. energy: -0.167
local terms energy: -67.493781
where:
bonds (distance) C4'-P energy: -17.474
bonds (distance) P-C4' energy: -17.555
flat angles C4'-P-C4' energy: -20.253
flat angles P-C4'-P energy: -12.882
tors. eta vs tors. theta energy: 0.671
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: 9
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -112.634626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.634626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.634626 (E_RNA)
where:
Base-Base interactions energy: -49.776
where: short stacking energy: -31.879
Base-Backbone interact. energy: 0.125
local terms energy: -62.983454
where:
bonds (distance) C4'-P energy: -16.927
bonds (distance) P-C4' energy: -21.124
flat angles C4'-P-C4' energy: -13.377
flat angles P-C4'-P energy: -12.288
tors. eta vs tors. theta energy: 0.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -106.547656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.547656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.547656 (E_RNA)
where:
Base-Base interactions energy: -38.106
where: short stacking energy: -32.466
Base-Backbone interact. energy: -0.463
local terms energy: -67.979117
where:
bonds (distance) C4'-P energy: -18.978
bonds (distance) P-C4' energy: -21.012
flat angles C4'-P-C4' energy: -13.533
flat angles P-C4'-P energy: -10.715
tors. eta vs tors. theta energy: -3.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -105.556790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.556790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.556790 (E_RNA)
where:
Base-Base interactions energy: -46.887
where: short stacking energy: -33.173
Base-Backbone interact. energy: -0.240
local terms energy: -58.428833
where:
bonds (distance) C4'-P energy: -9.775
bonds (distance) P-C4' energy: -11.750
flat angles C4'-P-C4' energy: -20.341
flat angles P-C4'-P energy: -12.228
tors. eta vs tors. theta energy: -4.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -329.560739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.560739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.560739 (E_RNA)
where:
Base-Base interactions energy: -225.375
where: short stacking energy: -95.597
Base-Backbone interact. energy: -0.841
local terms energy: -103.344410
where:
bonds (distance) C4'-P energy: -19.582
bonds (distance) P-C4' energy: -20.496
flat angles C4'-P-C4' energy: -22.367
flat angles P-C4'-P energy: -11.674
tors. eta vs tors. theta energy: -29.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -325.987757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.987757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.987757 (E_RNA)
where:
Base-Base interactions energy: -226.743
where: short stacking energy: -99.472
Base-Backbone interact. energy: 1.064
local terms energy: -100.308332
where:
bonds (distance) C4'-P energy: -19.975
bonds (distance) P-C4' energy: -18.345
flat angles C4'-P-C4' energy: -23.339
flat angles P-C4'-P energy: -12.692
tors. eta vs tors. theta energy: -25.958
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: 285
Temperature: 1.000000
Total energy: -302.079969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.079969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.079969 (E_RNA)
where:
Base-Base interactions energy: -207.316
where: short stacking energy: -83.205
Base-Backbone interact. energy: 0.405
local terms energy: -95.168459
where:
bonds (distance) C4'-P energy: -17.388
bonds (distance) P-C4' energy: -19.233
flat angles C4'-P-C4' energy: -23.044
flat angles P-C4'-P energy: -11.180
tors. eta vs tors. theta energy: -24.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -285.869709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.869709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.869709 (E_RNA)
where:
Base-Base interactions energy: -198.609
where: short stacking energy: -82.594
Base-Backbone interact. energy: -0.018
local terms energy: -87.242251
where:
bonds (distance) C4'-P energy: -21.345
bonds (distance) P-C4' energy: -20.519
flat angles C4'-P-C4' energy: -19.222
flat angles P-C4'-P energy: -7.452
tors. eta vs tors. theta energy: -18.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -281.031082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.031082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.031082 (E_RNA)
where:
Base-Base interactions energy: -192.815
where: short stacking energy: -77.018
Base-Backbone interact. energy: 0.117
local terms energy: -88.333066
where:
bonds (distance) C4'-P energy: -20.361
bonds (distance) P-C4' energy: -19.330
flat angles C4'-P-C4' energy: -16.903
flat angles P-C4'-P energy: -11.396
tors. eta vs tors. theta energy: -20.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -227.971527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.971527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.971527 (E_RNA)
where:
Base-Base interactions energy: -146.204
where: short stacking energy: -61.310
Base-Backbone interact. energy: -0.214
local terms energy: -81.553788
where:
bonds (distance) C4'-P energy: -16.338
bonds (distance) P-C4' energy: -24.149
flat angles C4'-P-C4' energy: -22.278
flat angles P-C4'-P energy: -9.514
tors. eta vs tors. theta energy: -9.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -177.965977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.965977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.965977 (E_RNA)
where:
Base-Base interactions energy: -96.714
where: short stacking energy: -51.640
Base-Backbone interact. energy: 0.084
local terms energy: -81.335800
where:
bonds (distance) C4'-P energy: -19.623
bonds (distance) P-C4' energy: -18.700
flat angles C4'-P-C4' energy: -19.932
flat angles P-C4'-P energy: -12.139
tors. eta vs tors. theta energy: -10.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -110.481129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.481129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.481129 (E_RNA)
where:
Base-Base interactions energy: -44.712
where: short stacking energy: -35.894
Base-Backbone interact. energy: -0.420
local terms energy: -65.349292
where:
bonds (distance) C4'-P energy: -14.742
bonds (distance) P-C4' energy: -19.140
flat angles C4'-P-C4' energy: -15.185
flat angles P-C4'-P energy: -9.599
tors. eta vs tors. theta energy: -6.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -115.201928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.201928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.201928 (E_RNA)
where:
Base-Base interactions energy: -57.015
where: short stacking energy: -41.271
Base-Backbone interact. energy: 0.343
local terms energy: -58.529152
where:
bonds (distance) C4'-P energy: -17.480
bonds (distance) P-C4' energy: -21.109
flat angles C4'-P-C4' energy: -11.050
flat angles P-C4'-P energy: -5.726
tors. eta vs tors. theta energy: -3.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -104.081991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.081991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.081991 (E_RNA)
where:
Base-Base interactions energy: -45.147
where: short stacking energy: -34.912
Base-Backbone interact. energy: -1.022
local terms energy: -57.912654
where:
bonds (distance) C4'-P energy: -18.957
bonds (distance) P-C4' energy: -20.827
flat angles C4'-P-C4' energy: -13.050
flat angles P-C4'-P energy: -7.626
tors. eta vs tors. theta energy: 2.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -336.431681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.431681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.431681 (E_RNA)
where:
Base-Base interactions energy: -227.704
where: short stacking energy: -99.179
Base-Backbone interact. energy: -0.087
local terms energy: -108.640280
where:
bonds (distance) C4'-P energy: -19.868
bonds (distance) P-C4' energy: -21.433
flat angles C4'-P-C4' energy: -21.825
flat angles P-C4'-P energy: -15.830
tors. eta vs tors. theta energy: -29.683
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: 2
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -330.053347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.053347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.053347 (E_RNA)
where:
Base-Base interactions energy: -234.719
where: short stacking energy: -86.429
Base-Backbone interact. energy: -0.111
local terms energy: -95.224192
where:
bonds (distance) C4'-P energy: -20.113
bonds (distance) P-C4' energy: -18.737
flat angles C4'-P-C4' energy: -20.603
flat angles P-C4'-P energy: -11.190
tors. eta vs tors. theta energy: -24.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -301.018162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.018162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.018162 (E_RNA)
where:
Base-Base interactions energy: -204.575
where: short stacking energy: -84.489
Base-Backbone interact. energy: -0.097
local terms energy: -96.345945
where:
bonds (distance) C4'-P energy: -18.216
bonds (distance) P-C4' energy: -20.767
flat angles C4'-P-C4' energy: -18.144
flat angles P-C4'-P energy: -11.794
tors. eta vs tors. theta energy: -27.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -286.283012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.283012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.283012 (E_RNA)
where:
Base-Base interactions energy: -195.266
where: short stacking energy: -87.261
Base-Backbone interact. energy: -0.011
local terms energy: -91.005822
where:
bonds (distance) C4'-P energy: -18.182
bonds (distance) P-C4' energy: -16.754
flat angles C4'-P-C4' energy: -21.749
flat angles P-C4'-P energy: -11.630
tors. eta vs tors. theta energy: -22.690
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: 8
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -257.604371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.604371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.604371 (E_RNA)
where:
Base-Base interactions energy: -166.637
where: short stacking energy: -78.547
Base-Backbone interact. energy: 1.553
local terms energy: -92.520177
where:
bonds (distance) C4'-P energy: -13.843
bonds (distance) P-C4' energy: -20.664
flat angles C4'-P-C4' energy: -20.018
flat angles P-C4'-P energy: -17.104
tors. eta vs tors. theta energy: -20.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -276.353319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.353319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.353319 (E_RNA)
where:
Base-Base interactions energy: -189.610
where: short stacking energy: -69.944
Base-Backbone interact. energy: -0.113
local terms energy: -86.630159
where:
bonds (distance) C4'-P energy: -21.590
bonds (distance) P-C4' energy: -14.805
flat angles C4'-P-C4' energy: -18.777
flat angles P-C4'-P energy: -6.709
tors. eta vs tors. theta energy: -24.748
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: 1
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -183.220934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.220934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.220934 (E_RNA)
where:
Base-Base interactions energy: -112.717
where: short stacking energy: -63.104
Base-Backbone interact. energy: 1.914
local terms energy: -72.417306
where:
bonds (distance) C4'-P energy: -18.776
bonds (distance) P-C4' energy: -22.165
flat angles C4'-P-C4' energy: -18.880
flat angles P-C4'-P energy: -6.537
tors. eta vs tors. theta energy: -6.059
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: 6
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -111.748117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.748117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.748117 (E_RNA)
where:
Base-Base interactions energy: -50.009
where: short stacking energy: -45.917
Base-Backbone interact. energy: -0.215
local terms energy: -61.523859
where:
bonds (distance) C4'-P energy: -14.667
bonds (distance) P-C4' energy: -16.634
flat angles C4'-P-C4' energy: -15.771
flat angles P-C4'-P energy: -5.392
tors. eta vs tors. theta energy: -9.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -110.746809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.746809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.746809 (E_RNA)
where:
Base-Base interactions energy: -40.816
where: short stacking energy: -38.721
Base-Backbone interact. energy: -0.725
local terms energy: -69.205849
where:
bonds (distance) C4'-P energy: -20.534
bonds (distance) P-C4' energy: -14.916
flat angles C4'-P-C4' energy: -18.877
flat angles P-C4'-P energy: -13.258
tors. eta vs tors. theta energy: -1.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -139.179417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.179417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.179417 (E_RNA)
where:
Base-Base interactions energy: -74.122
where: short stacking energy: -37.947
Base-Backbone interact. energy: -0.733
local terms energy: -64.324578
where:
bonds (distance) C4'-P energy: -17.288
bonds (distance) P-C4' energy: -11.853
flat angles C4'-P-C4' energy: -20.169
flat angles P-C4'-P energy: -10.553
tors. eta vs tors. theta energy: -4.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -335.774243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.774243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.774243 (E_RNA)
where:
Base-Base interactions energy: -223.554
where: short stacking energy: -98.659
Base-Backbone interact. energy: -0.067
local terms energy: -112.153477
where:
bonds (distance) C4'-P energy: -23.797
bonds (distance) P-C4' energy: -19.869
flat angles C4'-P-C4' energy: -24.282
flat angles P-C4'-P energy: -16.827
tors. eta vs tors. theta energy: -27.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -329.493651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.493651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.493651 (E_RNA)
where:
Base-Base interactions energy: -230.595
where: short stacking energy: -94.292
Base-Backbone interact. energy: -0.098
local terms energy: -98.801420
where:
bonds (distance) C4'-P energy: -18.815
bonds (distance) P-C4' energy: -21.325
flat angles C4'-P-C4' energy: -23.293
flat angles P-C4'-P energy: -6.760
tors. eta vs tors. theta energy: -28.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -293.587570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.587570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.587570 (E_RNA)
where:
Base-Base interactions energy: -199.814
where: short stacking energy: -86.453
Base-Backbone interact. energy: -0.223
local terms energy: -93.550372
where:
bonds (distance) C4'-P energy: -17.757
bonds (distance) P-C4' energy: -20.679
flat angles C4'-P-C4' energy: -20.340
flat angles P-C4'-P energy: -12.198
tors. eta vs tors. theta energy: -22.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -285.569048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.569048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.569048 (E_RNA)
where:
Base-Base interactions energy: -208.750
where: short stacking energy: -86.994
Base-Backbone interact. energy: 0.157
local terms energy: -76.976845
where:
bonds (distance) C4'-P energy: -17.214
bonds (distance) P-C4' energy: -17.441
flat angles C4'-P-C4' energy: -19.308
flat angles P-C4'-P energy: -0.456
tors. eta vs tors. theta energy: -22.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -260.850208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.850208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.850208 (E_RNA)
where:
Base-Base interactions energy: -173.995
where: short stacking energy: -72.895
Base-Backbone interact. energy: -0.692
local terms energy: -86.162578
where:
bonds (distance) C4'-P energy: -18.828
bonds (distance) P-C4' energy: -13.696
flat angles C4'-P-C4' energy: -19.342
flat angles P-C4'-P energy: -15.077
tors. eta vs tors. theta energy: -19.219
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: 6, replica: 10
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -268.507928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.507928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.507928 (E_RNA)
where:
Base-Base interactions energy: -179.089
where: short stacking energy: -82.292
Base-Backbone interact. energy: -0.044
local terms energy: -89.374618
where:
bonds (distance) C4'-P energy: -15.087
bonds (distance) P-C4' energy: -19.467
flat angles C4'-P-C4' energy: -18.068
flat angles P-C4'-P energy: -14.608
tors. eta vs tors. theta energy: -22.145
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: 1
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -185.704107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.704107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.704107 (E_RNA)
where:
Base-Base interactions energy: -102.119
where: short stacking energy: -56.751
Base-Backbone interact. energy: -0.094
local terms energy: -83.491853
where:
bonds (distance) C4'-P energy: -15.267
bonds (distance) P-C4' energy: -21.871
flat angles C4'-P-C4' energy: -18.508
flat angles P-C4'-P energy: -7.963
tors. eta vs tors. theta energy: -19.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -120.166304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.166304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.166304 (E_RNA)
where:
Base-Base interactions energy: -51.746
where: short stacking energy: -44.886
Base-Backbone interact. energy: 0.872
local terms energy: -69.292809
where:
bonds (distance) C4'-P energy: -16.549
bonds (distance) P-C4' energy: -16.927
flat angles C4'-P-C4' energy: -14.971
flat angles P-C4'-P energy: -12.494
tors. eta vs tors. theta energy: -8.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -98.771618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.771618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.771618 (E_RNA)
where:
Base-Base interactions energy: -28.745
where: short stacking energy: -20.323
Base-Backbone interact. energy: -0.393
local terms energy: -69.633252
where:
bonds (distance) C4'-P energy: -21.403
bonds (distance) P-C4' energy: -19.707
flat angles C4'-P-C4' energy: -18.416
flat angles P-C4'-P energy: -9.012
tors. eta vs tors. theta energy: -1.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -110.675213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.675213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.675213 (E_RNA)
where:
Base-Base interactions energy: -47.411
where: short stacking energy: -26.303
Base-Backbone interact. energy: -0.190
local terms energy: -63.074586
where:
bonds (distance) C4'-P energy: -17.728
bonds (distance) P-C4' energy: -14.167
flat angles C4'-P-C4' energy: -20.139
flat angles P-C4'-P energy: -10.881
tors. eta vs tors. theta energy: -0.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -328.888451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.888451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.888451 (E_RNA)
where:
Base-Base interactions energy: -222.338
where: short stacking energy: -96.585
Base-Backbone interact. energy: -0.307
local terms energy: -106.243488
where:
bonds (distance) C4'-P energy: -20.439
bonds (distance) P-C4' energy: -21.023
flat angles C4'-P-C4' energy: -23.045
flat angles P-C4'-P energy: -18.055
tors. eta vs tors. theta energy: -23.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -320.100198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.100198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.100198 (E_RNA)
where:
Base-Base interactions energy: -214.652
where: short stacking energy: -95.068
Base-Backbone interact. energy: -0.103
local terms energy: -105.345280
where:
bonds (distance) C4'-P energy: -21.464
bonds (distance) P-C4' energy: -19.703
flat angles C4'-P-C4' energy: -24.200
flat angles P-C4'-P energy: -12.326
tors. eta vs tors. theta energy: -27.653
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: 5
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -280.189078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.189078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.189078 (E_RNA)
where:
Base-Base interactions energy: -189.912
where: short stacking energy: -73.887
Base-Backbone interact. energy: -0.215
local terms energy: -90.061370
where:
bonds (distance) C4'-P energy: -20.087
bonds (distance) P-C4' energy: -20.967
flat angles C4'-P-C4' energy: -14.364
flat angles P-C4'-P energy: -14.222
tors. eta vs tors. theta energy: -20.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -291.731963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.731963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.731963 (E_RNA)
where:
Base-Base interactions energy: -192.299
where: short stacking energy: -77.911
Base-Backbone interact. energy: -0.125
local terms energy: -99.308076
where:
bonds (distance) C4'-P energy: -17.294
bonds (distance) P-C4' energy: -23.234
flat angles C4'-P-C4' energy: -21.237
flat angles P-C4'-P energy: -15.973
tors. eta vs tors. theta energy: -21.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -272.220623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.220623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.220623 (E_RNA)
where:
Base-Base interactions energy: -187.351
where: short stacking energy: -71.495
Base-Backbone interact. energy: -1.696
local terms energy: -83.174335
where:
bonds (distance) C4'-P energy: -14.162
bonds (distance) P-C4' energy: -22.577
flat angles C4'-P-C4' energy: -18.927
flat angles P-C4'-P energy: -11.228
tors. eta vs tors. theta energy: -16.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -237.250661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.250661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.250661 (E_RNA)
where:
Base-Base interactions energy: -156.744
where: short stacking energy: -66.470
Base-Backbone interact. energy: -0.647
local terms energy: -79.859933
where:
bonds (distance) C4'-P energy: -19.415
bonds (distance) P-C4' energy: -16.855
flat angles C4'-P-C4' energy: -15.343
flat angles P-C4'-P energy: -14.055
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: 7, replica: 9
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -131.350483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.350483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.350483 (E_RNA)
where:
Base-Base interactions energy: -63.288
where: short stacking energy: -49.892
Base-Backbone interact. energy: 0.348
local terms energy: -68.410640
where:
bonds (distance) C4'-P energy: -13.120
bonds (distance) P-C4' energy: -18.798
flat angles C4'-P-C4' energy: -19.916
flat angles P-C4'-P energy: -12.390
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: 8, replica: 1
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -194.656080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.656080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.656080 (E_RNA)
where:
Base-Base interactions energy: -111.216
where: short stacking energy: -58.268
Base-Backbone interact. energy: 0.621
local terms energy: -84.061221
where:
bonds (distance) C4'-P energy: -16.920
bonds (distance) P-C4' energy: -18.326
flat angles C4'-P-C4' energy: -22.355
flat angles P-C4'-P energy: -13.793
tors. eta vs tors. theta energy: -12.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -100.887231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.887231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.887231 (E_RNA)
where:
Base-Base interactions energy: -31.372
where: short stacking energy: -28.877
Base-Backbone interact. energy: 1.491
local terms energy: -71.006052
where:
bonds (distance) C4'-P energy: -18.105
bonds (distance) P-C4' energy: -18.780
flat angles C4'-P-C4' energy: -17.791
flat angles P-C4'-P energy: -15.237
tors. eta vs tors. theta energy: -1.094
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: 6
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -95.759988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.759988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.759988 (E_RNA)
where:
Base-Base interactions energy: -34.712
where: short stacking energy: -29.501
Base-Backbone interact. energy: 0.815
local terms energy: -61.862565
where:
bonds (distance) C4'-P energy: -16.632
bonds (distance) P-C4' energy: -21.241
flat angles C4'-P-C4' energy: -17.668
flat angles P-C4'-P energy: -9.666
tors. eta vs tors. theta energy: 3.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -331.958681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.958681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.958681 (E_RNA)
where:
Base-Base interactions energy: -226.092
where: short stacking energy: -99.668
Base-Backbone interact. energy: -0.101
local terms energy: -105.766130
where:
bonds (distance) C4'-P energy: -19.748
bonds (distance) P-C4' energy: -22.148
flat angles C4'-P-C4' energy: -22.415
flat angles P-C4'-P energy: -16.595
tors. eta vs tors. theta energy: -24.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -312.333295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.333295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.333295 (E_RNA)
where:
Base-Base interactions energy: -217.823
where: short stacking energy: -86.311
Base-Backbone interact. energy: -0.420
local terms energy: -94.089893
where:
bonds (distance) C4'-P energy: -22.943
bonds (distance) P-C4' energy: -22.143
flat angles C4'-P-C4' energy: -14.646
flat angles P-C4'-P energy: -13.922
tors. eta vs tors. theta energy: -20.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -295.007693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.007693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.007693 (E_RNA)
where:
Base-Base interactions energy: -201.031
where: short stacking energy: -80.063
Base-Backbone interact. energy: -0.093
local terms energy: -93.883779
where:
bonds (distance) C4'-P energy: -20.777
bonds (distance) P-C4' energy: -16.268
flat angles C4'-P-C4' energy: -20.226
flat angles P-C4'-P energy: -13.495
tors. eta vs tors. theta energy: -23.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -290.468033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.468033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.468033 (E_RNA)
where:
Base-Base interactions energy: -196.058
where: short stacking energy: -85.511
Base-Backbone interact. energy: -0.634
local terms energy: -93.776063
where:
bonds (distance) C4'-P energy: -17.156
bonds (distance) P-C4' energy: -19.543
flat angles C4'-P-C4' energy: -20.884
flat angles P-C4'-P energy: -13.023
tors. eta vs tors. theta energy: -23.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -267.366783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.366783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.366783 (E_RNA)
where:
Base-Base interactions energy: -182.729
where: short stacking energy: -82.464
Base-Backbone interact. energy: -0.414
local terms energy: -84.223723
where:
bonds (distance) C4'-P energy: -16.748
bonds (distance) P-C4' energy: -16.975
flat angles C4'-P-C4' energy: -19.106
flat angles P-C4'-P energy: -10.034
tors. eta vs tors. theta energy: -21.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -241.581578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.581578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.581578 (E_RNA)
where:
Base-Base interactions energy: -160.364
where: short stacking energy: -80.909
Base-Backbone interact. energy: -0.322
local terms energy: -80.895443
where:
bonds (distance) C4'-P energy: -17.541
bonds (distance) P-C4' energy: -12.495
flat angles C4'-P-C4' energy: -21.166
flat angles P-C4'-P energy: -11.062
tors. eta vs tors. theta energy: -18.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -121.706074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.706074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.706074 (E_RNA)
where:
Base-Base interactions energy: -53.931
where: short stacking energy: -48.654
Base-Backbone interact. energy: -0.205
local terms energy: -67.569624
where:
bonds (distance) C4'-P energy: -13.326
bonds (distance) P-C4' energy: -18.692
flat angles C4'-P-C4' energy: -16.370
flat angles P-C4'-P energy: -8.890
tors. eta vs tors. theta energy: -10.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -185.262673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.262673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.262673 (E_RNA)
where:
Base-Base interactions energy: -106.717
where: short stacking energy: -60.934
Base-Backbone interact. energy: -0.545
local terms energy: -78.000590
where:
bonds (distance) C4'-P energy: -17.095
bonds (distance) P-C4' energy: -19.054
flat angles C4'-P-C4' energy: -19.701
flat angles P-C4'-P energy: -9.826
tors. eta vs tors. theta energy: -12.325
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: 4
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -113.231893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.231893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.231893 (E_RNA)
where:
Base-Base interactions energy: -39.224
where: short stacking energy: -36.517
Base-Backbone interact. energy: -0.023
local terms energy: -73.984867
where:
bonds (distance) C4'-P energy: -16.991
bonds (distance) P-C4' energy: -23.315
flat angles C4'-P-C4' energy: -15.201
flat angles P-C4'-P energy: -11.511
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: 10, replica: 6
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -102.123327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.123327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.123327 (E_RNA)
where:
Base-Base interactions energy: -32.115
where: short stacking energy: -23.892
Base-Backbone interact. energy: -0.047
local terms energy: -69.960881
where:
bonds (distance) C4'-P energy: -15.548
bonds (distance) P-C4' energy: -18.192
flat angles C4'-P-C4' energy: -16.407
flat angles P-C4'-P energy: -12.921
tors. eta vs tors. theta energy: -6.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -329.151061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.151061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.151061 (E_RNA)
where:
Base-Base interactions energy: -227.135
where: short stacking energy: -93.867
Base-Backbone interact. energy: -0.179
local terms energy: -101.836830
where:
bonds (distance) C4'-P energy: -18.666
bonds (distance) P-C4' energy: -22.951
flat angles C4'-P-C4' energy: -22.284
flat angles P-C4'-P energy: -17.758
tors. eta vs tors. theta energy: -20.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -319.363658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.363658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.363658 (E_RNA)
where:
Base-Base interactions energy: -222.114
where: short stacking energy: -93.487
Base-Backbone interact. energy: -0.683
local terms energy: -96.566439
where:
bonds (distance) C4'-P energy: -19.555
bonds (distance) P-C4' energy: -18.015
flat angles C4'-P-C4' energy: -17.044
flat angles P-C4'-P energy: -14.599
tors. eta vs tors. theta energy: -27.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -293.272329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.272329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.272329 (E_RNA)
where:
Base-Base interactions energy: -206.544
where: short stacking energy: -82.244
Base-Backbone interact. energy: 1.421
local terms energy: -88.149709
where:
bonds (distance) C4'-P energy: -17.504
bonds (distance) P-C4' energy: -22.235
flat angles C4'-P-C4' energy: -20.825
flat angles P-C4'-P energy: -6.844
tors. eta vs tors. theta energy: -20.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -300.731575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.731575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.731575 (E_RNA)
where:
Base-Base interactions energy: -199.679
where: short stacking energy: -93.315
Base-Backbone interact. energy: -0.088
local terms energy: -100.964420
where:
bonds (distance) C4'-P energy: -18.137
bonds (distance) P-C4' energy: -22.031
flat angles C4'-P-C4' energy: -21.148
flat angles P-C4'-P energy: -13.719
tors. eta vs tors. theta energy: -25.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -285.508842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.508842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.508842 (E_RNA)
where:
Base-Base interactions energy: -190.150
where: short stacking energy: -83.971
Base-Backbone interact. energy: -0.434
local terms energy: -94.924585
where:
bonds (distance) C4'-P energy: -19.831
bonds (distance) P-C4' energy: -19.059
flat angles C4'-P-C4' energy: -19.861
flat angles P-C4'-P energy: -12.901
tors. eta vs tors. theta energy: -23.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -251.166798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.166798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.166798 (E_RNA)
where:
Base-Base interactions energy: -163.493
where: short stacking energy: -69.141
Base-Backbone interact. energy: -0.952
local terms energy: -86.721803
where:
bonds (distance) C4'-P energy: -16.838
bonds (distance) P-C4' energy: -19.602
flat angles C4'-P-C4' energy: -19.987
flat angles P-C4'-P energy: -10.989
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: 7, replica: 1
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -193.387192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.387192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.387192 (E_RNA)
where:
Base-Base interactions energy: -125.065
where: short stacking energy: -68.850
Base-Backbone interact. energy: -0.056
local terms energy: -68.266159
where:
bonds (distance) C4'-P energy: -13.609
bonds (distance) P-C4' energy: -16.030
flat angles C4'-P-C4' energy: -18.136
flat angles P-C4'-P energy: -10.175
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: 8, replica: 9
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -121.659418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.659418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.659418 (E_RNA)
where:
Base-Base interactions energy: -50.196
where: short stacking energy: -50.196
Base-Backbone interact. energy: -0.129
local terms energy: -71.334231
where:
bonds (distance) C4'-P energy: -15.421
bonds (distance) P-C4' energy: -21.264
flat angles C4'-P-C4' energy: -18.414
flat angles P-C4'-P energy: -8.678
tors. eta vs tors. theta energy: -7.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -123.187054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.187054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.187054 (E_RNA)
where:
Base-Base interactions energy: -40.187
where: short stacking energy: -40.187
Base-Backbone interact. energy: -0.023
local terms energy: -82.976831
where:
bonds (distance) C4'-P energy: -19.446
bonds (distance) P-C4' energy: -22.536
flat angles C4'-P-C4' energy: -12.313
flat angles P-C4'-P energy: -15.136
tors. eta vs tors. theta energy: -13.546
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: 290
Temperature: 1.350000
Total energy: -94.430616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.430616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.430616 (E_RNA)
where:
Base-Base interactions energy: -36.341
where: short stacking energy: -27.199
Base-Backbone interact. energy: 0.144
local terms energy: -58.233570
where:
bonds (distance) C4'-P energy: -15.309
bonds (distance) P-C4' energy: -21.211
flat angles C4'-P-C4' energy: -12.017
flat angles P-C4'-P energy: -10.626
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: 7
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -331.358627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.358627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.358627 (E_RNA)
where:
Base-Base interactions energy: -221.351
where: short stacking energy: -100.175
Base-Backbone interact. energy: -0.905
local terms energy: -109.103025
where:
bonds (distance) C4'-P energy: -19.029
bonds (distance) P-C4' energy: -21.983
flat angles C4'-P-C4' energy: -23.499
flat angles P-C4'-P energy: -16.740
tors. eta vs tors. theta energy: -27.852
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: 2
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -316.731691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.731691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.731691 (E_RNA)
where:
Base-Base interactions energy: -217.385
where: short stacking energy: -86.026
Base-Backbone interact. energy: -0.216
local terms energy: -99.129839
where:
bonds (distance) C4'-P energy: -20.336
bonds (distance) P-C4' energy: -23.666
flat angles C4'-P-C4' energy: -20.951
flat angles P-C4'-P energy: -10.370
tors. eta vs tors. theta energy: -23.807
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: 5
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -294.873718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.873718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.873718 (E_RNA)
where:
Base-Base interactions energy: -202.620
where: short stacking energy: -80.305
Base-Backbone interact. energy: -0.296
local terms energy: -91.957735
where:
bonds (distance) C4'-P energy: -20.651
bonds (distance) P-C4' energy: -18.533
flat angles C4'-P-C4' energy: -18.029
flat angles P-C4'-P energy: -8.017
tors. eta vs tors. theta energy: -26.727
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: 3
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -277.560740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.560740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.560740 (E_RNA)
where:
Base-Base interactions energy: -190.883
where: short stacking energy: -78.959
Base-Backbone interact. energy: 0.009
local terms energy: -86.686521
where:
bonds (distance) C4'-P energy: -19.105
bonds (distance) P-C4' energy: -15.477
flat angles C4'-P-C4' energy: -18.945
flat angles P-C4'-P energy: -15.401
tors. eta vs tors. theta energy: -17.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -281.195222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.195222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.195222 (E_RNA)
where:
Base-Base interactions energy: -184.618
where: short stacking energy: -76.695
Base-Backbone interact. energy: -0.362
local terms energy: -96.215899
where:
bonds (distance) C4'-P energy: -19.117
bonds (distance) P-C4' energy: -16.319
flat angles C4'-P-C4' energy: -22.124
flat angles P-C4'-P energy: -12.941
tors. eta vs tors. theta energy: -25.715
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: 291
Temperature: 1.150000
Total energy: -259.515542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.515542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.515542 (E_RNA)
where:
Base-Base interactions energy: -171.021
where: short stacking energy: -67.491
Base-Backbone interact. energy: -0.485
local terms energy: -88.009126
where:
bonds (distance) C4'-P energy: -17.557
bonds (distance) P-C4' energy: -18.124
flat angles C4'-P-C4' energy: -18.309
flat angles P-C4'-P energy: -16.065
tors. eta vs tors. theta energy: -17.954
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: 1
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -188.019942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.019942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.019942 (E_RNA)
where:
Base-Base interactions energy: -122.281
where: short stacking energy: -56.222
Base-Backbone interact. energy: -0.273
local terms energy: -65.466156
where:
bonds (distance) C4'-P energy: -12.611
bonds (distance) P-C4' energy: -20.503
flat angles C4'-P-C4' energy: -11.036
flat angles P-C4'-P energy: -12.372
tors. eta vs tors. theta energy: -8.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -111.650754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.650754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.650754 (E_RNA)
where:
Base-Base interactions energy: -43.206
where: short stacking energy: -43.206
Base-Backbone interact. energy: -0.039
local terms energy: -68.405737
where:
bonds (distance) C4'-P energy: -15.511
bonds (distance) P-C4' energy: -18.648
flat angles C4'-P-C4' energy: -12.923
flat angles P-C4'-P energy: -12.534
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: 9, replica: 9
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -123.589292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.589292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.589292 (E_RNA)
where:
Base-Base interactions energy: -48.648
where: short stacking energy: -37.759
Base-Backbone interact. energy: 0.417
local terms energy: -75.358112
where:
bonds (distance) C4'-P energy: -20.276
bonds (distance) P-C4' energy: -19.686
flat angles C4'-P-C4' energy: -18.302
flat angles P-C4'-P energy: -8.555
tors. eta vs tors. theta energy: -8.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -98.809765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.809765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.809765 (E_RNA)
where:
Base-Base interactions energy: -33.135
where: short stacking energy: -27.472
Base-Backbone interact. energy: -0.907
local terms energy: -64.768080
where:
bonds (distance) C4'-P energy: -13.889
bonds (distance) P-C4' energy: -18.669
flat angles C4'-P-C4' energy: -17.119
flat angles P-C4'-P energy: -11.819
tors. eta vs tors. theta energy: -3.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -327.792584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.792584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.792584 (E_RNA)
where:
Base-Base interactions energy: -221.399
where: short stacking energy: -102.344
Base-Backbone interact. energy: 0.400
local terms energy: -106.793518
where:
bonds (distance) C4'-P energy: -17.871
bonds (distance) P-C4' energy: -20.890
flat angles C4'-P-C4' energy: -21.579
flat angles P-C4'-P energy: -18.405
tors. eta vs tors. theta energy: -28.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -315.880693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.880693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.880693 (E_RNA)
where:
Base-Base interactions energy: -211.637
where: short stacking energy: -86.855
Base-Backbone interact. energy: -0.883
local terms energy: -103.360380
where:
bonds (distance) C4'-P energy: -22.049
bonds (distance) P-C4' energy: -21.595
flat angles C4'-P-C4' energy: -20.582
flat angles P-C4'-P energy: -13.525
tors. eta vs tors. theta energy: -25.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -286.701086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.701086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.701086 (E_RNA)
where:
Base-Base interactions energy: -192.809
where: short stacking energy: -79.765
Base-Backbone interact. energy: -0.724
local terms energy: -93.168132
where:
bonds (distance) C4'-P energy: -19.590
bonds (distance) P-C4' energy: -20.332
flat angles C4'-P-C4' energy: -19.916
flat angles P-C4'-P energy: -17.679
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: 4, replica: 5
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -275.785596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.785596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.785596 (E_RNA)
where:
Base-Base interactions energy: -185.123
where: short stacking energy: -84.025
Base-Backbone interact. energy: -0.506
local terms energy: -90.156285
where:
bonds (distance) C4'-P energy: -16.478
bonds (distance) P-C4' energy: -15.905
flat angles C4'-P-C4' energy: -21.800
flat angles P-C4'-P energy: -12.788
tors. eta vs tors. theta energy: -23.184
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: 8
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -287.943276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.943276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.943276 (E_RNA)
where:
Base-Base interactions energy: -203.169
where: short stacking energy: -90.800
Base-Backbone interact. energy: -0.570
local terms energy: -84.204006
where:
bonds (distance) C4'-P energy: -11.223
bonds (distance) P-C4' energy: -21.837
flat angles C4'-P-C4' energy: -17.146
flat angles P-C4'-P energy: -10.682
tors. eta vs tors. theta energy: -23.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -271.003217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.003217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.003217 (E_RNA)
where:
Base-Base interactions energy: -178.956
where: short stacking energy: -83.263
Base-Backbone interact. energy: 1.373
local terms energy: -93.419375
where:
bonds (distance) C4'-P energy: -21.325
bonds (distance) P-C4' energy: -20.150
flat angles C4'-P-C4' energy: -23.724
flat angles P-C4'-P energy: -9.650
tors. eta vs tors. theta energy: -18.570
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: 7, replica: 1
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -193.938689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.938689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.938689 (E_RNA)
where:
Base-Base interactions energy: -121.876
where: short stacking energy: -57.077
Base-Backbone interact. energy: -0.367
local terms energy: -71.695216
where:
bonds (distance) C4'-P energy: -16.920
bonds (distance) P-C4' energy: -19.709
flat angles C4'-P-C4' energy: -16.547
flat angles P-C4'-P energy: -11.932
tors. eta vs tors. theta energy: -6.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -114.017109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.017109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.017109 (E_RNA)
where:
Base-Base interactions energy: -53.113
where: short stacking energy: -46.836
Base-Backbone interact. energy: -0.105
local terms energy: -60.799480
where:
bonds (distance) C4'-P energy: -16.759
bonds (distance) P-C4' energy: -19.529
flat angles C4'-P-C4' energy: -13.803
flat angles P-C4'-P energy: -5.623
tors. eta vs tors. theta energy: -5.086
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: 9, replica: 6
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -112.030363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.030363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.030363 (E_RNA)
where:
Base-Base interactions energy: -46.443
where: short stacking energy: -46.443
Base-Backbone interact. energy: -0.234
local terms energy: -65.353175
where:
bonds (distance) C4'-P energy: -16.601
bonds (distance) P-C4' energy: -17.512
flat angles C4'-P-C4' energy: -17.375
flat angles P-C4'-P energy: -12.517
tors. eta vs tors. theta energy: -1.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -110.131041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.131041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.131041 (E_RNA)
where:
Base-Base interactions energy: -47.104
where: short stacking energy: -37.146
Base-Backbone interact. energy: -0.201
local terms energy: -62.825655
where:
bonds (distance) C4'-P energy: -12.088
bonds (distance) P-C4' energy: -15.214
flat angles C4'-P-C4' energy: -16.429
flat angles P-C4'-P energy: -10.858
tors. eta vs tors. theta energy: -8.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -326.810353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.810353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.810353 (E_RNA)
where:
Base-Base interactions energy: -220.026
where: short stacking energy: -96.650
Base-Backbone interact. energy: -0.187
local terms energy: -106.597673
where:
bonds (distance) C4'-P energy: -21.582
bonds (distance) P-C4' energy: -19.863
flat angles C4'-P-C4' energy: -21.686
flat angles P-C4'-P energy: -16.120
tors. eta vs tors. theta energy: -27.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -329.192096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.192096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.192096 (E_RNA)
where:
Base-Base interactions energy: -224.410
where: short stacking energy: -89.826
Base-Backbone interact. energy: -0.236
local terms energy: -104.546865
where:
bonds (distance) C4'-P energy: -22.836
bonds (distance) P-C4' energy: -22.646
flat angles C4'-P-C4' energy: -19.214
flat angles P-C4'-P energy: -14.348
tors. eta vs tors. theta energy: -25.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -295.560579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.560579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.560579 (E_RNA)
where:
Base-Base interactions energy: -194.671
where: short stacking energy: -79.232
Base-Backbone interact. energy: -0.521
local terms energy: -100.368799
where:
bonds (distance) C4'-P energy: -24.975
bonds (distance) P-C4' energy: -18.141
flat angles C4'-P-C4' energy: -21.353
flat angles P-C4'-P energy: -13.389
tors. eta vs tors. theta energy: -22.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -288.420242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.420242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.420242 (E_RNA)
where:
Base-Base interactions energy: -189.016
where: short stacking energy: -76.016
Base-Backbone interact. energy: -0.967
local terms energy: -98.437875
where:
bonds (distance) C4'-P energy: -21.382
bonds (distance) P-C4' energy: -17.822
flat angles C4'-P-C4' energy: -19.325
flat angles P-C4'-P energy: -12.334
tors. eta vs tors. theta energy: -27.574
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: 5
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -263.830008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.830008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.830008 (E_RNA)
where:
Base-Base interactions energy: -182.096
where: short stacking energy: -77.411
Base-Backbone interact. energy: -0.554
local terms energy: -81.179748
where:
bonds (distance) C4'-P energy: -17.496
bonds (distance) P-C4' energy: -20.396
flat angles C4'-P-C4' energy: -18.656
flat angles P-C4'-P energy: -5.948
tors. eta vs tors. theta energy: -18.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -277.550468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.550468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.550468 (E_RNA)
where:
Base-Base interactions energy: -194.151
where: short stacking energy: -84.056
Base-Backbone interact. energy: -0.016
local terms energy: -83.383741
where:
bonds (distance) C4'-P energy: -11.737
bonds (distance) P-C4' energy: -18.542
flat angles C4'-P-C4' energy: -19.411
flat angles P-C4'-P energy: -12.361
tors. eta vs tors. theta energy: -21.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -191.813881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.813881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.813881 (E_RNA)
where:
Base-Base interactions energy: -110.066
where: short stacking energy: -49.925
Base-Backbone interact. energy: -0.815
local terms energy: -80.932602
where:
bonds (distance) C4'-P energy: -14.850
bonds (distance) P-C4' energy: -23.212
flat angles C4'-P-C4' energy: -17.955
flat angles P-C4'-P energy: -10.658
tors. eta vs tors. theta energy: -14.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -132.307199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.307199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.307199 (E_RNA)
where:
Base-Base interactions energy: -61.850
where: short stacking energy: -43.925
Base-Backbone interact. energy: -0.224
local terms energy: -70.233506
where:
bonds (distance) C4'-P energy: -18.969
bonds (distance) P-C4' energy: -14.040
flat angles C4'-P-C4' energy: -20.134
flat angles P-C4'-P energy: -11.277
tors. eta vs tors. theta energy: -5.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -104.902405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.902405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.902405 (E_RNA)
where:
Base-Base interactions energy: -27.920
where: short stacking energy: -27.920
Base-Backbone interact. energy: -0.878
local terms energy: -76.104089
where:
bonds (distance) C4'-P energy: -22.527
bonds (distance) P-C4' energy: -18.000
flat angles C4'-P-C4' energy: -21.765
flat angles P-C4'-P energy: -13.401
tors. eta vs tors. theta energy: -0.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -101.594066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.594066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.594066 (E_RNA)
where:
Base-Base interactions energy: -39.304
where: short stacking energy: -40.514
Base-Backbone interact. energy: 0.059
local terms energy: -62.348971
where:
bonds (distance) C4'-P energy: -15.693
bonds (distance) P-C4' energy: -17.399
flat angles C4'-P-C4' energy: -18.415
flat angles P-C4'-P energy: -10.028
tors. eta vs tors. theta energy: -0.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -330.059677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.059677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.059677 (E_RNA)
where:
Base-Base interactions energy: -227.302
where: short stacking energy: -99.479
Base-Backbone interact. energy: -0.608
local terms energy: -102.149607
where:
bonds (distance) C4'-P energy: -13.942
bonds (distance) P-C4' energy: -19.679
flat angles C4'-P-C4' energy: -23.661
flat angles P-C4'-P energy: -13.956
tors. eta vs tors. theta energy: -30.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -319.003327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.003327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.003327 (E_RNA)
where:
Base-Base interactions energy: -216.350
where: short stacking energy: -92.252
Base-Backbone interact. energy: -0.103
local terms energy: -102.550950
where:
bonds (distance) C4'-P energy: -20.240
bonds (distance) P-C4' energy: -21.846
flat angles C4'-P-C4' energy: -22.193
flat angles P-C4'-P energy: -13.292
tors. eta vs tors. theta energy: -24.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -299.076848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.076848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.076848 (E_RNA)
where:
Base-Base interactions energy: -201.567
where: short stacking energy: -79.619
Base-Backbone interact. energy: -0.446
local terms energy: -97.063489
where:
bonds (distance) C4'-P energy: -19.966
bonds (distance) P-C4' energy: -22.439
flat angles C4'-P-C4' energy: -19.807
flat angles P-C4'-P energy: -12.993
tors. eta vs tors. theta energy: -21.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -300.476164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.476164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.476164 (E_RNA)
where:
Base-Base interactions energy: -205.771
where: short stacking energy: -79.474
Base-Backbone interact. energy: -0.914
local terms energy: -93.791930
where:
bonds (distance) C4'-P energy: -17.546
bonds (distance) P-C4' energy: -18.374
flat angles C4'-P-C4' energy: -20.964
flat angles P-C4'-P energy: -14.306
tors. eta vs tors. theta energy: -22.601
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: 10
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -284.411331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.411331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.411331 (E_RNA)
where:
Base-Base interactions energy: -199.142
where: short stacking energy: -82.740
Base-Backbone interact. energy: -0.267
local terms energy: -85.002660
where:
bonds (distance) C4'-P energy: -17.297
bonds (distance) P-C4' energy: -17.611
flat angles C4'-P-C4' energy: -19.319
flat angles P-C4'-P energy: -10.084
tors. eta vs tors. theta energy: -20.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -272.466334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.466334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.466334 (E_RNA)
where:
Base-Base interactions energy: -175.569
where: short stacking energy: -76.270
Base-Backbone interact. energy: 0.079
local terms energy: -96.975769
where:
bonds (distance) C4'-P energy: -21.693
bonds (distance) P-C4' energy: -20.701
flat angles C4'-P-C4' energy: -17.485
flat angles P-C4'-P energy: -16.782
tors. eta vs tors. theta energy: -20.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -122.104667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.104667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.104667 (E_RNA)
where:
Base-Base interactions energy: -60.240
where: short stacking energy: -55.233
Base-Backbone interact. energy: 0.276
local terms energy: -62.140632
where:
bonds (distance) C4'-P energy: -13.699
bonds (distance) P-C4' energy: -16.344
flat angles C4'-P-C4' energy: -14.325
flat angles P-C4'-P energy: -8.931
tors. eta vs tors. theta energy: -8.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -151.037396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.037396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.037396 (E_RNA)
where:
Base-Base interactions energy: -75.003
where: short stacking energy: -44.935
Base-Backbone interact. energy: 0.252
local terms energy: -76.286744
where:
bonds (distance) C4'-P energy: -18.020
bonds (distance) P-C4' energy: -17.489
flat angles C4'-P-C4' energy: -16.920
flat angles P-C4'-P energy: -15.532
tors. eta vs tors. theta energy: -8.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -93.754362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.754362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.754362 (E_RNA)
where:
Base-Base interactions energy: -36.506
where: short stacking energy: -36.506
Base-Backbone interact. energy: -1.167
local terms energy: -56.081514
where:
bonds (distance) C4'-P energy: -14.428
bonds (distance) P-C4' energy: -19.908
flat angles C4'-P-C4' energy: -10.032
flat angles P-C4'-P energy: -9.646
tors. eta vs tors. theta energy: -2.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -105.612738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.612738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.612738 (E_RNA)
where:
Base-Base interactions energy: -42.537
where: short stacking energy: -32.586
Base-Backbone interact. energy: -1.039
local terms energy: -62.036665
where:
bonds (distance) C4'-P energy: -18.372
bonds (distance) P-C4' energy: -19.394
flat angles C4'-P-C4' energy: -11.820
flat angles P-C4'-P energy: -10.941
tors. eta vs tors. theta energy: -1.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -334.329597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.329597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.329597 (E_RNA)
where:
Base-Base interactions energy: -222.142
where: short stacking energy: -95.665
Base-Backbone interact. energy: -0.673
local terms energy: -111.514502
where:
bonds (distance) C4'-P energy: -22.604
bonds (distance) P-C4' energy: -22.132
flat angles C4'-P-C4' energy: -24.285
flat angles P-C4'-P energy: -16.034
tors. eta vs tors. theta energy: -26.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -325.972776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.972776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.972776 (E_RNA)
where:
Base-Base interactions energy: -223.807
where: short stacking energy: -100.372
Base-Backbone interact. energy: -0.136
local terms energy: -102.029902
where:
bonds (distance) C4'-P energy: -20.091
bonds (distance) P-C4' energy: -19.900
flat angles C4'-P-C4' energy: -19.581
flat angles P-C4'-P energy: -15.503
tors. eta vs tors. theta energy: -26.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -309.438611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.438611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.438611 (E_RNA)
where:
Base-Base interactions energy: -216.223
where: short stacking energy: -79.088
Base-Backbone interact. energy: -0.770
local terms energy: -92.445086
where:
bonds (distance) C4'-P energy: -16.321
bonds (distance) P-C4' energy: -21.462
flat angles C4'-P-C4' energy: -20.388
flat angles P-C4'-P energy: -13.718
tors. eta vs tors. theta energy: -20.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -298.791198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.791198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.791198 (E_RNA)
where:
Base-Base interactions energy: -200.483
where: short stacking energy: -77.490
Base-Backbone interact. energy: -0.445
local terms energy: -97.863572
where:
bonds (distance) C4'-P energy: -18.428
bonds (distance) P-C4' energy: -23.917
flat angles C4'-P-C4' energy: -20.182
flat angles P-C4'-P energy: -12.453
tors. eta vs tors. theta energy: -22.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -295.630954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.630954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.630954 (E_RNA)
where:
Base-Base interactions energy: -207.703
where: short stacking energy: -86.408
Base-Backbone interact. energy: -0.349
local terms energy: -87.578815
where:
bonds (distance) C4'-P energy: -18.073
bonds (distance) P-C4' energy: -19.405
flat angles C4'-P-C4' energy: -17.610
flat angles P-C4'-P energy: -12.246
tors. eta vs tors. theta energy: -20.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -261.126740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.126740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.126740 (E_RNA)
where:
Base-Base interactions energy: -187.697
where: short stacking energy: -76.118
Base-Backbone interact. energy: -0.325
local terms energy: -73.104567
where:
bonds (distance) C4'-P energy: -12.233
bonds (distance) P-C4' energy: -17.057
flat angles C4'-P-C4' energy: -16.898
flat angles P-C4'-P energy: -10.029
tors. eta vs tors. theta energy: -16.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -127.932831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.932831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.932831 (E_RNA)
where:
Base-Base interactions energy: -57.633
where: short stacking energy: -56.015
Base-Backbone interact. energy: -0.076
local terms energy: -70.223772
where:
bonds (distance) C4'-P energy: -15.470
bonds (distance) P-C4' energy: -11.820
flat angles C4'-P-C4' energy: -20.789
flat angles P-C4'-P energy: -7.999
tors. eta vs tors. theta energy: -14.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -149.395075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.395075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.395075 (E_RNA)
where:
Base-Base interactions energy: -78.105
where: short stacking energy: -41.117
Base-Backbone interact. energy: 1.094
local terms energy: -72.384429
where:
bonds (distance) C4'-P energy: -18.465
bonds (distance) P-C4' energy: -15.902
flat angles C4'-P-C4' energy: -20.710
flat angles P-C4'-P energy: -14.184
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: 9, replica: 9
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -112.051246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.051246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.051246 (E_RNA)
where:
Base-Base interactions energy: -37.939
where: short stacking energy: -37.785
Base-Backbone interact. energy: -0.577
local terms energy: -73.535235
where:
bonds (distance) C4'-P energy: -19.167
bonds (distance) P-C4' energy: -20.834
flat angles C4'-P-C4' energy: -18.161
flat angles P-C4'-P energy: -11.466
tors. eta vs tors. theta energy: -3.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -95.449971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.449971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.449971 (E_RNA)
where:
Base-Base interactions energy: -34.557
where: short stacking energy: -34.327
Base-Backbone interact. energy: -0.083
local terms energy: -60.810336
where:
bonds (distance) C4'-P energy: -18.339
bonds (distance) P-C4' energy: -18.773
flat angles C4'-P-C4' energy: -4.520
flat angles P-C4'-P energy: -9.750
tors. eta vs tors. theta energy: -9.429
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: 7
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -326.350828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.350828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.350828 (E_RNA)
where:
Base-Base interactions energy: -222.698
where: short stacking energy: -92.004
Base-Backbone interact. energy: -0.413
local terms energy: -103.238955
where:
bonds (distance) C4'-P energy: -17.450
bonds (distance) P-C4' energy: -21.383
flat angles C4'-P-C4' energy: -23.387
flat angles P-C4'-P energy: -15.126
tors. eta vs tors. theta energy: -25.892
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: 296
Temperature: 0.950000
Total energy: -322.983565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.983565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.983565 (E_RNA)
where:
Base-Base interactions energy: -216.740
where: short stacking energy: -93.889
Base-Backbone interact. energy: -0.408
local terms energy: -105.835211
where:
bonds (distance) C4'-P energy: -22.062
bonds (distance) P-C4' energy: -21.642
flat angles C4'-P-C4' energy: -21.526
flat angles P-C4'-P energy: -11.769
tors. eta vs tors. theta energy: -28.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -299.833640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.833640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.833640 (E_RNA)
where:
Base-Base interactions energy: -211.908
where: short stacking energy: -85.738
Base-Backbone interact. energy: 0.068
local terms energy: -87.993547
where:
bonds (distance) C4'-P energy: -18.225
bonds (distance) P-C4' energy: -17.250
flat angles C4'-P-C4' energy: -20.666
flat angles P-C4'-P energy: -10.638
tors. eta vs tors. theta energy: -21.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -282.610950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.610950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.610950 (E_RNA)
where:
Base-Base interactions energy: -185.258
where: short stacking energy: -75.325
Base-Backbone interact. energy: -0.680
local terms energy: -96.673189
where:
bonds (distance) C4'-P energy: -15.976
bonds (distance) P-C4' energy: -20.849
flat angles C4'-P-C4' energy: -20.661
flat angles P-C4'-P energy: -15.868
tors. eta vs tors. theta energy: -23.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -281.956489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.956489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.956489 (E_RNA)
where:
Base-Base interactions energy: -189.324
where: short stacking energy: -80.694
Base-Backbone interact. energy: -0.030
local terms energy: -92.602223
where:
bonds (distance) C4'-P energy: -19.508
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -22.088
flat angles P-C4'-P energy: -13.541
tors. eta vs tors. theta energy: -19.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -276.782156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.782156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.782156 (E_RNA)
where:
Base-Base interactions energy: -188.863
where: short stacking energy: -72.895
Base-Backbone interact. energy: -1.491
local terms energy: -86.427860
where:
bonds (distance) C4'-P energy: -15.794
bonds (distance) P-C4' energy: -20.496
flat angles C4'-P-C4' energy: -20.932
flat angles P-C4'-P energy: -8.923
tors. eta vs tors. theta energy: -20.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -186.699459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.699459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.699459 (E_RNA)
where:
Base-Base interactions energy: -111.942
where: short stacking energy: -49.692
Base-Backbone interact. energy: -0.188
local terms energy: -74.569192
where:
bonds (distance) C4'-P energy: -20.041
bonds (distance) P-C4' energy: -21.711
flat angles C4'-P-C4' energy: -9.521
flat angles P-C4'-P energy: -15.094
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: 8, replica: 6
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -121.357771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.357771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.357771 (E_RNA)
where:
Base-Base interactions energy: -45.378
where: short stacking energy: -44.865
Base-Backbone interact. energy: -0.261
local terms energy: -75.718867
where:
bonds (distance) C4'-P energy: -16.362
bonds (distance) P-C4' energy: -20.432
flat angles C4'-P-C4' energy: -15.342
flat angles P-C4'-P energy: -10.960
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: 9, replica: 9
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -102.838371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.838371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.838371 (E_RNA)
where:
Base-Base interactions energy: -40.745
where: short stacking energy: -35.851
Base-Backbone interact. energy: 1.904
local terms energy: -63.997894
where:
bonds (distance) C4'-P energy: -13.469
bonds (distance) P-C4' energy: -19.847
flat angles C4'-P-C4' energy: -21.533
flat angles P-C4'-P energy: -9.575
tors. eta vs tors. theta energy: 0.427
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: 296
Temperature: 1.350000
Total energy: -109.134196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.134196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.134196 (E_RNA)
where:
Base-Base interactions energy: -47.201
where: short stacking energy: -40.297
Base-Backbone interact. energy: -0.639
local terms energy: -61.294438
where:
bonds (distance) C4'-P energy: -7.307
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -21.461
flat angles P-C4'-P energy: -9.462
tors. eta vs tors. theta energy: -6.704
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: 7
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -331.361392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.361392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.361392 (E_RNA)
where:
Base-Base interactions energy: -224.482
where: short stacking energy: -90.548
Base-Backbone interact. energy: -0.159
local terms energy: -106.720159
where:
bonds (distance) C4'-P energy: -19.008
bonds (distance) P-C4' energy: -22.423
flat angles C4'-P-C4' energy: -20.249
flat angles P-C4'-P energy: -14.706
tors. eta vs tors. theta energy: -30.335
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: 2, replica: 8
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -309.324333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.324333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.324333 (E_RNA)
where:
Base-Base interactions energy: -203.799
where: short stacking energy: -80.417
Base-Backbone interact. energy: -0.329
local terms energy: -105.196087
where:
bonds (distance) C4'-P energy: -20.614
bonds (distance) P-C4' energy: -21.565
flat angles C4'-P-C4' energy: -23.367
flat angles P-C4'-P energy: -13.823
tors. eta vs tors. theta energy: -25.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -316.747722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.747722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.747722 (E_RNA)
where:
Base-Base interactions energy: -216.698
where: short stacking energy: -83.753
Base-Backbone interact. energy: -1.262
local terms energy: -98.787111
where:
bonds (distance) C4'-P energy: -20.023
bonds (distance) P-C4' energy: -20.273
flat angles C4'-P-C4' energy: -20.304
flat angles P-C4'-P energy: -14.718
tors. eta vs tors. theta energy: -23.470
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: 4, replica: 10
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -286.131470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.131470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.131470 (E_RNA)
where:
Base-Base interactions energy: -207.284
where: short stacking energy: -90.110
Base-Backbone interact. energy: -0.097
local terms energy: -78.751000
where:
bonds (distance) C4'-P energy: -12.566
bonds (distance) P-C4' energy: -15.795
flat angles C4'-P-C4' energy: -18.491
flat angles P-C4'-P energy: -9.924
tors. eta vs tors. theta energy: -21.975
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: 3
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -245.412549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.412549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.412549 (E_RNA)
where:
Base-Base interactions energy: -161.856
where: short stacking energy: -58.648
Base-Backbone interact. energy: -0.888
local terms energy: -82.668583
where:
bonds (distance) C4'-P energy: -18.385
bonds (distance) P-C4' energy: -19.130
flat angles C4'-P-C4' energy: -19.640
flat angles P-C4'-P energy: -13.663
tors. eta vs tors. theta energy: -11.850
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: 6, replica: 5
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -275.338573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.338573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.338573 (E_RNA)
where:
Base-Base interactions energy: -195.283
where: short stacking energy: -74.346
Base-Backbone interact. energy: -0.237
local terms energy: -79.819185
where:
bonds (distance) C4'-P energy: -21.193
bonds (distance) P-C4' energy: -21.382
flat angles C4'-P-C4' energy: -13.536
flat angles P-C4'-P energy: -4.185
tors. eta vs tors. theta energy: -19.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -202.486054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.486054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.486054 (E_RNA)
where:
Base-Base interactions energy: -114.048
where: short stacking energy: -68.665
Base-Backbone interact. energy: -0.469
local terms energy: -87.968729
where:
bonds (distance) C4'-P energy: -19.627
bonds (distance) P-C4' energy: -18.694
flat angles C4'-P-C4' energy: -19.240
flat angles P-C4'-P energy: -11.203
tors. eta vs tors. theta energy: -19.205
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: 6
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -138.134146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.134146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.134146 (E_RNA)
where:
Base-Base interactions energy: -80.064
where: short stacking energy: -46.009
Base-Backbone interact. energy: -0.179
local terms energy: -57.890710
where:
bonds (distance) C4'-P energy: -18.837
bonds (distance) P-C4' energy: -10.522
flat angles C4'-P-C4' energy: -10.802
flat angles P-C4'-P energy: -6.520
tors. eta vs tors. theta energy: -11.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -120.727577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.727577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.727577 (E_RNA)
where:
Base-Base interactions energy: -55.621
where: short stacking energy: -38.662
Base-Backbone interact. energy: -0.277
local terms energy: -64.829546
where:
bonds (distance) C4'-P energy: -15.489
bonds (distance) P-C4' energy: -17.630
flat angles C4'-P-C4' energy: -18.417
flat angles P-C4'-P energy: -5.397
tors. eta vs tors. theta energy: -7.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -116.184341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.184341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.184341 (E_RNA)
where:
Base-Base interactions energy: -57.859
where: short stacking energy: -42.860
Base-Backbone interact. energy: -0.074
local terms energy: -58.250994
where:
bonds (distance) C4'-P energy: -11.758
bonds (distance) P-C4' energy: -16.385
flat angles C4'-P-C4' energy: -14.263
flat angles P-C4'-P energy: -9.222
tors. eta vs tors. theta energy: -6.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -334.796667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.796667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.796667 (E_RNA)
where:
Base-Base interactions energy: -223.724
where: short stacking energy: -96.902
Base-Backbone interact. energy: -1.172
local terms energy: -109.900712
where:
bonds (distance) C4'-P energy: -22.153
bonds (distance) P-C4' energy: -21.034
flat angles C4'-P-C4' energy: -22.480
flat angles P-C4'-P energy: -15.055
tors. eta vs tors. theta energy: -29.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -306.963266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.963266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.963266 (E_RNA)
where:
Base-Base interactions energy: -199.536
where: short stacking energy: -91.369
Base-Backbone interact. energy: -1.136
local terms energy: -106.291234
where:
bonds (distance) C4'-P energy: -18.728
bonds (distance) P-C4' energy: -22.426
flat angles C4'-P-C4' energy: -23.179
flat angles P-C4'-P energy: -16.249
tors. eta vs tors. theta energy: -25.709
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: 3, replica: 2
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -322.908532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.908532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.908532 (E_RNA)
where:
Base-Base interactions energy: -220.200
where: short stacking energy: -93.530
Base-Backbone interact. energy: 0.902
local terms energy: -103.610444
where:
bonds (distance) C4'-P energy: -19.308
bonds (distance) P-C4' energy: -21.981
flat angles C4'-P-C4' energy: -21.019
flat angles P-C4'-P energy: -15.907
tors. eta vs tors. theta energy: -25.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -290.836834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.836834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.836834 (E_RNA)
where:
Base-Base interactions energy: -204.480
where: short stacking energy: -74.153
Base-Backbone interact. energy: -0.047
local terms energy: -86.309979
where:
bonds (distance) C4'-P energy: -18.444
bonds (distance) P-C4' energy: -19.841
flat angles C4'-P-C4' energy: -18.717
flat angles P-C4'-P energy: -8.322
tors. eta vs tors. theta energy: -20.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -272.200026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.200026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.200026 (E_RNA)
where:
Base-Base interactions energy: -183.449
where: short stacking energy: -67.723
Base-Backbone interact. energy: -1.598
local terms energy: -87.153042
where:
bonds (distance) C4'-P energy: -20.299
bonds (distance) P-C4' energy: -19.036
flat angles C4'-P-C4' energy: -19.422
flat angles P-C4'-P energy: -15.966
tors. eta vs tors. theta energy: -12.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -232.148149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.148149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.148149 (E_RNA)
where:
Base-Base interactions energy: -150.342
where: short stacking energy: -60.633
Base-Backbone interact. energy: -0.175
local terms energy: -81.631669
where:
bonds (distance) C4'-P energy: -17.305
bonds (distance) P-C4' energy: -21.201
flat angles C4'-P-C4' energy: -19.682
flat angles P-C4'-P energy: -7.087
tors. eta vs tors. theta energy: -16.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -185.840908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.840908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.840908 (E_RNA)
where:
Base-Base interactions energy: -107.379
where: short stacking energy: -63.891
Base-Backbone interact. energy: -0.702
local terms energy: -77.759614
where:
bonds (distance) C4'-P energy: -14.503
bonds (distance) P-C4' energy: -16.920
flat angles C4'-P-C4' energy: -18.061
flat angles P-C4'-P energy: -14.594
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: 8, replica: 6
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -126.405656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.405656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.405656 (E_RNA)
where:
Base-Base interactions energy: -62.574
where: short stacking energy: -47.438
Base-Backbone interact. energy: -0.288
local terms energy: -63.543165
where:
bonds (distance) C4'-P energy: -12.943
bonds (distance) P-C4' energy: -19.061
flat angles C4'-P-C4' energy: -16.567
flat angles P-C4'-P energy: -9.001
tors. eta vs tors. theta energy: -5.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -106.763724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.763724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.763724 (E_RNA)
where:
Base-Base interactions energy: -54.128
where: short stacking energy: -29.300
Base-Backbone interact. energy: -0.653
local terms energy: -51.983414
where:
bonds (distance) C4'-P energy: -14.243
bonds (distance) P-C4' energy: -18.549
flat angles C4'-P-C4' energy: -14.774
flat angles P-C4'-P energy: -6.321
tors. eta vs tors. theta energy: 1.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -97.102902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.102902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.102902 (E_RNA)
where:
Base-Base interactions energy: -36.286
where: short stacking energy: -29.684
Base-Backbone interact. energy: -0.178
local terms energy: -60.638576
where:
bonds (distance) C4'-P energy: -17.372
bonds (distance) P-C4' energy: -14.367
flat angles C4'-P-C4' energy: -16.126
flat angles P-C4'-P energy: -6.041
tors. eta vs tors. theta energy: -6.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -331.007096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.007096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.007096 (E_RNA)
where:
Base-Base interactions energy: -224.765
where: short stacking energy: -97.990
Base-Backbone interact. energy: -0.004
local terms energy: -106.238335
where:
bonds (distance) C4'-P energy: -20.625
bonds (distance) P-C4' energy: -19.934
flat angles C4'-P-C4' energy: -23.394
flat angles P-C4'-P energy: -14.024
tors. eta vs tors. theta energy: -28.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -328.615669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.615669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.615669 (E_RNA)
where:
Base-Base interactions energy: -222.318
where: short stacking energy: -96.868
Base-Backbone interact. energy: -0.768
local terms energy: -105.529470
where:
bonds (distance) C4'-P energy: -21.683
bonds (distance) P-C4' energy: -17.061
flat angles C4'-P-C4' energy: -23.948
flat angles P-C4'-P energy: -14.007
tors. eta vs tors. theta energy: -28.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -304.407881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.407881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.407881 (E_RNA)
where:
Base-Base interactions energy: -199.466
where: short stacking energy: -95.921
Base-Backbone interact. energy: 0.771
local terms energy: -105.712390
where:
bonds (distance) C4'-P energy: -17.594
bonds (distance) P-C4' energy: -21.717
flat angles C4'-P-C4' energy: -23.649
flat angles P-C4'-P energy: -15.170
tors. eta vs tors. theta energy: -27.581
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: 299
Temperature: 1.050000
Total energy: -290.567889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.567889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.567889 (E_RNA)
where:
Base-Base interactions energy: -198.113
where: short stacking energy: -90.246
Base-Backbone interact. energy: -0.478
local terms energy: -91.976902
where:
bonds (distance) C4'-P energy: -18.699
bonds (distance) P-C4' energy: -13.862
flat angles C4'-P-C4' energy: -18.935
flat angles P-C4'-P energy: -13.308
tors. eta vs tors. theta energy: -27.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -278.015599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.015599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.015599 (E_RNA)
where:
Base-Base interactions energy: -192.117
where: short stacking energy: -74.584
Base-Backbone interact. energy: 0.229
local terms energy: -86.127380
where:
bonds (distance) C4'-P energy: -16.141
bonds (distance) P-C4' energy: -19.291
flat angles C4'-P-C4' energy: -14.886
flat angles P-C4'-P energy: -15.530
tors. eta vs tors. theta energy: -20.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -278.341753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.341753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.341753 (E_RNA)
where:
Base-Base interactions energy: -191.673
where: short stacking energy: -70.244
Base-Backbone interact. energy: -0.253
local terms energy: -86.415472
where:
bonds (distance) C4'-P energy: -22.301
bonds (distance) P-C4' energy: -20.725
flat angles C4'-P-C4' energy: -16.889
flat angles P-C4'-P energy: -7.573
tors. eta vs tors. theta energy: -18.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -174.391449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.391449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.391449 (E_RNA)
where:
Base-Base interactions energy: -95.334
where: short stacking energy: -55.789
Base-Backbone interact. energy: -0.141
local terms energy: -78.916595
where:
bonds (distance) C4'-P energy: -18.821
bonds (distance) P-C4' energy: -20.530
flat angles C4'-P-C4' energy: -14.562
flat angles P-C4'-P energy: -14.054
tors. eta vs tors. theta energy: -10.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -132.296632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.296632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.296632 (E_RNA)
where:
Base-Base interactions energy: -67.933
where: short stacking energy: -40.180
Base-Backbone interact. energy: -0.017
local terms energy: -64.346308
where:
bonds (distance) C4'-P energy: -19.057
bonds (distance) P-C4' energy: -17.499
flat angles C4'-P-C4' energy: -13.346
flat angles P-C4'-P energy: -10.265
tors. eta vs tors. theta energy: -4.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -104.229462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.229462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.229462 (E_RNA)
where:
Base-Base interactions energy: -39.015
where: short stacking energy: -28.892
Base-Backbone interact. energy: -0.546
local terms energy: -64.668378
where:
bonds (distance) C4'-P energy: -10.063
bonds (distance) P-C4' energy: -20.454
flat angles C4'-P-C4' energy: -17.080
flat angles P-C4'-P energy: -11.389
tors. eta vs tors. theta energy: -5.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -102.424808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.424808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.424808 (E_RNA)
where:
Base-Base interactions energy: -48.764
where: short stacking energy: -34.826
Base-Backbone interact. energy: -0.464
local terms energy: -53.197267
where:
bonds (distance) C4'-P energy: -13.045
bonds (distance) P-C4' energy: -16.983
flat angles C4'-P-C4' energy: -15.240
flat angles P-C4'-P energy: -9.917
tors. eta vs tors. theta energy: 1.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -326.368711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.368711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.368711 (E_RNA)
where:
Base-Base interactions energy: -226.396
where: short stacking energy: -102.770
Base-Backbone interact. energy: -0.140
local terms energy: -99.831929
where:
bonds (distance) C4'-P energy: -21.954
bonds (distance) P-C4' energy: -18.792
flat angles C4'-P-C4' energy: -21.119
flat angles P-C4'-P energy: -12.821
tors. eta vs tors. theta energy: -25.146
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: 2
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -324.387088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.387088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.387088 (E_RNA)
where:
Base-Base interactions energy: -215.458
where: short stacking energy: -91.277
Base-Backbone interact. energy: 1.122
local terms energy: -110.051024
where:
bonds (distance) C4'-P energy: -20.306
bonds (distance) P-C4' energy: -23.192
flat angles C4'-P-C4' energy: -22.510
flat angles P-C4'-P energy: -20.155
tors. eta vs tors. theta energy: -23.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -295.219582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.219582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.219582 (E_RNA)
where:
Base-Base interactions energy: -195.707
where: short stacking energy: -74.049
Base-Backbone interact. energy: -1.185
local terms energy: -98.327610
where:
bonds (distance) C4'-P energy: -16.809
bonds (distance) P-C4' energy: -20.580
flat angles C4'-P-C4' energy: -19.022
flat angles P-C4'-P energy: -12.854
tors. eta vs tors. theta energy: -29.062
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: 8
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -293.538679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.538679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.538679 (E_RNA)
where:
Base-Base interactions energy: -210.471
where: short stacking energy: -71.019
Base-Backbone interact. energy: -0.301
local terms energy: -82.766589
where:
bonds (distance) C4'-P energy: -19.227
bonds (distance) P-C4' energy: -9.320
flat angles C4'-P-C4' energy: -18.856
flat angles P-C4'-P energy: -12.537
tors. eta vs tors. theta energy: -22.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -275.719448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.719448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.719448 (E_RNA)
where:
Base-Base interactions energy: -189.292
where: short stacking energy: -69.741
Base-Backbone interact. energy: 1.026
local terms energy: -87.454149
where:
bonds (distance) C4'-P energy: -14.726
bonds (distance) P-C4' energy: -23.966
flat angles C4'-P-C4' energy: -18.164
flat angles P-C4'-P energy: -11.447
tors. eta vs tors. theta energy: -19.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -262.772320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.772320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.772320 (E_RNA)
where:
Base-Base interactions energy: -180.616
where: short stacking energy: -75.555
Base-Backbone interact. energy: -0.023
local terms energy: -82.133647
where:
bonds (distance) C4'-P energy: -17.109
bonds (distance) P-C4' energy: -18.488
flat angles C4'-P-C4' energy: -21.781
flat angles P-C4'-P energy: -8.476
tors. eta vs tors. theta energy: -16.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -171.102085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.102085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.102085 (E_RNA)
where:
Base-Base interactions energy: -87.902
where: short stacking energy: -54.739
Base-Backbone interact. energy: -0.241
local terms energy: -82.958978
where:
bonds (distance) C4'-P energy: -21.843
bonds (distance) P-C4' energy: -17.630
flat angles C4'-P-C4' energy: -18.667
flat angles P-C4'-P energy: -14.833
tors. eta vs tors. theta energy: -9.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -136.198249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.198249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.198249 (E_RNA)
where:
Base-Base interactions energy: -77.913
where: short stacking energy: -45.067
Base-Backbone interact. energy: -0.437
local terms energy: -57.847749
where:
bonds (distance) C4'-P energy: -5.299
bonds (distance) P-C4' energy: -19.745
flat angles C4'-P-C4' energy: -16.695
flat angles P-C4'-P energy: -10.211
tors. eta vs tors. theta energy: -5.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -101.900480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.900480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.900480 (E_RNA)
where:
Base-Base interactions energy: -48.994
where: short stacking energy: -25.614
Base-Backbone interact. energy: 0.194
local terms energy: -53.100053
where:
bonds (distance) C4'-P energy: -13.609
bonds (distance) P-C4' energy: -19.214
flat angles C4'-P-C4' energy: -12.680
flat angles P-C4'-P energy: -13.852
tors. eta vs tors. theta energy: 6.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -99.561329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.561329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.561329 (E_RNA)
where:
Base-Base interactions energy: -32.103
where: short stacking energy: -22.870
Base-Backbone interact. energy: -0.079
local terms energy: -67.379358
where:
bonds (distance) C4'-P energy: -19.566
bonds (distance) P-C4' energy: -19.710
flat angles C4'-P-C4' energy: -9.439
flat angles P-C4'-P energy: -12.354
tors. eta vs tors. theta energy: -6.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -326.968895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.968895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.968895 (E_RNA)
where:
Base-Base interactions energy: -217.704
where: short stacking energy: -95.642
Base-Backbone interact. energy: -0.502
local terms energy: -108.763302
where:
bonds (distance) C4'-P energy: -23.187
bonds (distance) P-C4' energy: -21.978
flat angles C4'-P-C4' energy: -22.786
flat angles P-C4'-P energy: -14.592
tors. eta vs tors. theta energy: -26.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -328.888122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.888122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.888122 (E_RNA)
where:
Base-Base interactions energy: -219.964
where: short stacking energy: -95.028
Base-Backbone interact. energy: 1.469
local terms energy: -110.393348
where:
bonds (distance) C4'-P energy: -20.604
bonds (distance) P-C4' energy: -20.476
flat angles C4'-P-C4' energy: -25.838
flat angles P-C4'-P energy: -17.891
tors. eta vs tors. theta energy: -25.585
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: 10
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -287.100767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.100767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.100767 (E_RNA)
where:
Base-Base interactions energy: -190.637
where: short stacking energy: -82.489
Base-Backbone interact. energy: -0.021
local terms energy: -96.442043
where:
bonds (distance) C4'-P energy: -17.861
bonds (distance) P-C4' energy: -19.573
flat angles C4'-P-C4' energy: -24.656
flat angles P-C4'-P energy: -11.949
tors. eta vs tors. theta energy: -22.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -286.606470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.606470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.606470 (E_RNA)
where:
Base-Base interactions energy: -190.871
where: short stacking energy: -83.367
Base-Backbone interact. energy: -0.839
local terms energy: -94.895621
where:
bonds (distance) C4'-P energy: -18.026
bonds (distance) P-C4' energy: -17.263
flat angles C4'-P-C4' energy: -17.058
flat angles P-C4'-P energy: -16.273
tors. eta vs tors. theta energy: -26.276
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: 3
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -276.608320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.608320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.608320 (E_RNA)
where:
Base-Base interactions energy: -191.559
where: short stacking energy: -68.299
Base-Backbone interact. energy: 0.797
local terms energy: -85.846393
where:
bonds (distance) C4'-P energy: -16.787
bonds (distance) P-C4' energy: -17.987
flat angles C4'-P-C4' energy: -18.026
flat angles P-C4'-P energy: -15.466
tors. eta vs tors. theta energy: -17.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -260.006903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.006903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.006903 (E_RNA)
where:
Base-Base interactions energy: -171.776
where: short stacking energy: -65.002
Base-Backbone interact. energy: -0.931
local terms energy: -87.299948
where:
bonds (distance) C4'-P energy: -18.949
bonds (distance) P-C4' energy: -21.648
flat angles C4'-P-C4' energy: -15.047
flat angles P-C4'-P energy: -13.768
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: 7, replica: 1
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -171.212647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.212647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.212647 (E_RNA)
where:
Base-Base interactions energy: -97.050
where: short stacking energy: -58.897
Base-Backbone interact. energy: -0.269
local terms energy: -73.892954
where:
bonds (distance) C4'-P energy: -19.225
bonds (distance) P-C4' energy: -14.792
flat angles C4'-P-C4' energy: -18.852
flat angles P-C4'-P energy: -12.162
tors. eta vs tors. theta energy: -8.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -163.375309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.375309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.375309 (E_RNA)
where:
Base-Base interactions energy: -91.963
where: short stacking energy: -50.819
Base-Backbone interact. energy: 0.992
local terms energy: -72.404299
where:
bonds (distance) C4'-P energy: -15.310
bonds (distance) P-C4' energy: -22.407
flat angles C4'-P-C4' energy: -17.215
flat angles P-C4'-P energy: -8.878
tors. eta vs tors. theta energy: -8.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -117.282065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.282065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.282065 (E_RNA)
where:
Base-Base interactions energy: -37.689
where: short stacking energy: -37.689
Base-Backbone interact. energy: -0.297
local terms energy: -79.296300
where:
bonds (distance) C4'-P energy: -19.638
bonds (distance) P-C4' energy: -21.529
flat angles C4'-P-C4' energy: -19.341
flat angles P-C4'-P energy: -10.534
tors. eta vs tors. theta energy: -8.255
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: 6
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -115.489852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.489852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.489852 (E_RNA)
where:
Base-Base interactions energy: -61.039
where: short stacking energy: -36.602
Base-Backbone interact. energy: -0.829
local terms energy: -53.621819
where:
bonds (distance) C4'-P energy: -13.926
bonds (distance) P-C4' energy: -20.004
flat angles C4'-P-C4' energy: -14.597
flat angles P-C4'-P energy: -8.595
tors. eta vs tors. theta energy: 3.501
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: 1, replica: 7
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -333.446575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.446575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.446575 (E_RNA)
where:
Base-Base interactions energy: -232.434
where: short stacking energy: -107.059
Base-Backbone interact. energy: 0.157
local terms energy: -101.169713
where:
bonds (distance) C4'-P energy: -19.171
bonds (distance) P-C4' energy: -17.490
flat angles C4'-P-C4' energy: -23.087
flat angles P-C4'-P energy: -13.027
tors. eta vs tors. theta energy: -28.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -326.095239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.095239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.095239 (E_RNA)
where:
Base-Base interactions energy: -223.217
where: short stacking energy: -93.926
Base-Backbone interact. energy: 1.258
local terms energy: -104.136452
where:
bonds (distance) C4'-P energy: -14.329
bonds (distance) P-C4' energy: -22.253
flat angles C4'-P-C4' energy: -22.966
flat angles P-C4'-P energy: -17.832
tors. eta vs tors. theta energy: -26.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -290.182571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.182571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.182571 (E_RNA)
where:
Base-Base interactions energy: -188.925
where: short stacking energy: -75.040
Base-Backbone interact. energy: -0.372
local terms energy: -100.884928
where:
bonds (distance) C4'-P energy: -22.732
bonds (distance) P-C4' energy: -21.954
flat angles C4'-P-C4' energy: -21.339
flat angles P-C4'-P energy: -14.248
tors. eta vs tors. theta energy: -20.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -275.600781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.600781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.600781 (E_RNA)
where:
Base-Base interactions energy: -184.109
where: short stacking energy: -78.181
Base-Backbone interact. energy: -1.544
local terms energy: -89.947166
where:
bonds (distance) C4'-P energy: -10.494
bonds (distance) P-C4' energy: -20.866
flat angles C4'-P-C4' energy: -20.194
flat angles P-C4'-P energy: -17.240
tors. eta vs tors. theta energy: -21.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -292.574516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.574516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.574516 (E_RNA)
where:
Base-Base interactions energy: -202.897
where: short stacking energy: -80.610
Base-Backbone interact. energy: -0.531
local terms energy: -89.146214
where:
bonds (distance) C4'-P energy: -15.528
bonds (distance) P-C4' energy: -22.423
flat angles C4'-P-C4' energy: -19.112
flat angles P-C4'-P energy: -10.467
tors. eta vs tors. theta energy: -21.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -266.532287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.532287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.532287 (E_RNA)
where:
Base-Base interactions energy: -187.476
where: short stacking energy: -72.253
Base-Backbone interact. energy: -0.275
local terms energy: -78.781763
where:
bonds (distance) C4'-P energy: -16.451
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -18.643
flat angles P-C4'-P energy: -12.505
tors. eta vs tors. theta energy: -12.980
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: 9
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -188.702210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.702210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.702210 (E_RNA)
where:
Base-Base interactions energy: -115.313
where: short stacking energy: -57.280
Base-Backbone interact. energy: 0.548
local terms energy: -73.936822
where:
bonds (distance) C4'-P energy: -16.132
bonds (distance) P-C4' energy: -14.594
flat angles C4'-P-C4' energy: -17.701
flat angles P-C4'-P energy: -13.701
tors. eta vs tors. theta energy: -11.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -172.393078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.393078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.393078 (E_RNA)
where:
Base-Base interactions energy: -98.254
where: short stacking energy: -50.067
Base-Backbone interact. energy: -0.224
local terms energy: -73.914778
where:
bonds (distance) C4'-P energy: -20.521
bonds (distance) P-C4' energy: -21.789
flat angles C4'-P-C4' energy: -15.264
flat angles P-C4'-P energy: -10.390
tors. eta vs tors. theta energy: -5.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -100.737301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.737301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.737301 (E_RNA)
where:
Base-Base interactions energy: -38.605
where: short stacking energy: -35.318
Base-Backbone interact. energy: 1.170
local terms energy: -63.302353
where:
bonds (distance) C4'-P energy: -23.789
bonds (distance) P-C4' energy: -19.276
flat angles C4'-P-C4' energy: -9.104
flat angles P-C4'-P energy: -8.690
tors. eta vs tors. theta energy: -2.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -91.664788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.664788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.664788 (E_RNA)
where:
Base-Base interactions energy: -36.897
where: short stacking energy: -31.839
Base-Backbone interact. energy: 0.145
local terms energy: -54.912925
where:
bonds (distance) C4'-P energy: -18.145
bonds (distance) P-C4' energy: -19.307
flat angles C4'-P-C4' energy: -13.729
flat angles P-C4'-P energy: -6.854
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: 1, replica: 7
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -330.650726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.650726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.650726 (E_RNA)
where:
Base-Base interactions energy: -220.074
where: short stacking energy: -93.762
Base-Backbone interact. energy: -0.144
local terms energy: -110.432283
where:
bonds (distance) C4'-P energy: -22.795
bonds (distance) P-C4' energy: -22.735
flat angles C4'-P-C4' energy: -23.315
flat angles P-C4'-P energy: -12.372
tors. eta vs tors. theta energy: -29.214
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: 10
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -296.004762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.004762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.004762 (E_RNA)
where:
Base-Base interactions energy: -197.073
where: short stacking energy: -90.319
Base-Backbone interact. energy: -0.013
local terms energy: -98.918674
where:
bonds (distance) C4'-P energy: -23.871
bonds (distance) P-C4' energy: -17.980
flat angles C4'-P-C4' energy: -22.145
flat angles P-C4'-P energy: -15.594
tors. eta vs tors. theta energy: -19.328
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: 3, replica: 2
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -325.912095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.912095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.912095 (E_RNA)
where:
Base-Base interactions energy: -223.796
where: short stacking energy: -93.747
Base-Backbone interact. energy: 1.413
local terms energy: -103.528705
where:
bonds (distance) C4'-P energy: -18.195
bonds (distance) P-C4' energy: -23.359
flat angles C4'-P-C4' energy: -21.781
flat angles P-C4'-P energy: -18.354
tors. eta vs tors. theta energy: -21.840
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: 3
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -289.229623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.229623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.229623 (E_RNA)
where:
Base-Base interactions energy: -198.799
where: short stacking energy: -78.690
Base-Backbone interact. energy: -0.189
local terms energy: -90.242053
where:
bonds (distance) C4'-P energy: -17.551
bonds (distance) P-C4' energy: -20.408
flat angles C4'-P-C4' energy: -19.985
flat angles P-C4'-P energy: -12.589
tors. eta vs tors. theta energy: -19.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -285.684115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.684115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.684115 (E_RNA)
where:
Base-Base interactions energy: -189.606
where: short stacking energy: -92.550
Base-Backbone interact. energy: 1.627
local terms energy: -97.704963
where:
bonds (distance) C4'-P energy: -20.434
bonds (distance) P-C4' energy: -17.543
flat angles C4'-P-C4' energy: -21.165
flat angles P-C4'-P energy: -13.211
tors. eta vs tors. theta energy: -25.352
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: 5
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -240.838825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.838825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.838825 (E_RNA)
where:
Base-Base interactions energy: -161.651
where: short stacking energy: -73.495
Base-Backbone interact. energy: 0.648
local terms energy: -79.836599
where:
bonds (distance) C4'-P energy: -18.257
bonds (distance) P-C4' energy: -20.867
flat angles C4'-P-C4' energy: -16.152
flat angles P-C4'-P energy: -8.990
tors. eta vs tors. theta energy: -15.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -167.266892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.266892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.266892 (E_RNA)
where:
Base-Base interactions energy: -88.718
where: short stacking energy: -46.840
Base-Backbone interact. energy: -0.107
local terms energy: -78.441761
where:
bonds (distance) C4'-P energy: -17.922
bonds (distance) P-C4' energy: -14.773
flat angles C4'-P-C4' energy: -22.381
flat angles P-C4'-P energy: -8.316
tors. eta vs tors. theta energy: -15.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -168.614550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.614550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.614550 (E_RNA)
where:
Base-Base interactions energy: -88.570
where: short stacking energy: -49.188
Base-Backbone interact. energy: 0.152
local terms energy: -80.196702
where:
bonds (distance) C4'-P energy: -20.031
bonds (distance) P-C4' energy: -21.001
flat angles C4'-P-C4' energy: -21.636
flat angles P-C4'-P energy: -10.280
tors. eta vs tors. theta energy: -7.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -110.111586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.111586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.111586 (E_RNA)
where:
Base-Base interactions energy: -45.077
where: short stacking energy: -39.044
Base-Backbone interact. energy: -0.163
local terms energy: -64.871824
where:
bonds (distance) C4'-P energy: -12.995
bonds (distance) P-C4' energy: -19.231
flat angles C4'-P-C4' energy: -17.031
flat angles P-C4'-P energy: -8.855
tors. eta vs tors. theta energy: -6.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -103.394528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.394528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.394528 (E_RNA)
where:
Base-Base interactions energy: -49.531
where: short stacking energy: -38.383
Base-Backbone interact. energy: 1.291
local terms energy: -55.155297
where:
bonds (distance) C4'-P energy: -14.684
bonds (distance) P-C4' energy: -21.171
flat angles C4'-P-C4' energy: -20.477
flat angles P-C4'-P energy: -2.272
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: 1, replica: 10
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -300.770287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.770287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.770287 (E_RNA)
where:
Base-Base interactions energy: -206.351
where: short stacking energy: -85.427
Base-Backbone interact. energy: -0.069
local terms energy: -94.350562
where:
bonds (distance) C4'-P energy: -18.972
bonds (distance) P-C4' energy: -22.315
flat angles C4'-P-C4' energy: -22.181
flat angles P-C4'-P energy: -7.466
tors. eta vs tors. theta energy: -23.416
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: 304
Temperature: 0.950000
Total energy: -322.808829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.808829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.808829 (E_RNA)
where:
Base-Base interactions energy: -222.007
where: short stacking energy: -93.305
Base-Backbone interact. energy: -0.615
local terms energy: -100.186960
where:
bonds (distance) C4'-P energy: -18.470
bonds (distance) P-C4' energy: -20.043
flat angles C4'-P-C4' energy: -18.384
flat angles P-C4'-P energy: -14.251
tors. eta vs tors. theta energy: -29.039
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: 304
Temperature: 1.000000
Total energy: -298.971398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.971398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.971398 (E_RNA)
where:
Base-Base interactions energy: -213.489
where: short stacking energy: -81.575
Base-Backbone interact. energy: -0.112
local terms energy: -85.370744
where:
bonds (distance) C4'-P energy: -20.981
bonds (distance) P-C4' energy: -20.310
flat angles C4'-P-C4' energy: -14.938
flat angles P-C4'-P energy: -8.141
tors. eta vs tors. theta energy: -21.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -323.882264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.882264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.882264 (E_RNA)
where:
Base-Base interactions energy: -221.430
where: short stacking energy: -95.516
Base-Backbone interact. energy: 0.013
local terms energy: -102.465846
where:
bonds (distance) C4'-P energy: -19.156
bonds (distance) P-C4' energy: -23.755
flat angles C4'-P-C4' energy: -19.223
flat angles P-C4'-P energy: -13.941
tors. eta vs tors. theta energy: -26.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -244.764701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.764701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.764701 (E_RNA)
where:
Base-Base interactions energy: -160.513
where: short stacking energy: -78.007
Base-Backbone interact. energy: 0.768
local terms energy: -85.019791
where:
bonds (distance) C4'-P energy: -15.557
bonds (distance) P-C4' energy: -19.735
flat angles C4'-P-C4' energy: -18.353
flat angles P-C4'-P energy: -11.354
tors. eta vs tors. theta energy: -20.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -293.655782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.655782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.655782 (E_RNA)
where:
Base-Base interactions energy: -191.450
where: short stacking energy: -84.031
Base-Backbone interact. energy: -1.084
local terms energy: -101.121156
where:
bonds (distance) C4'-P energy: -18.307
bonds (distance) P-C4' energy: -20.887
flat angles C4'-P-C4' energy: -23.690
flat angles P-C4'-P energy: -11.983
tors. eta vs tors. theta energy: -26.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -179.436607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.436607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.436607 (E_RNA)
where:
Base-Base interactions energy: -111.698
where: short stacking energy: -57.661
Base-Backbone interact. energy: -1.127
local terms energy: -66.610975
where:
bonds (distance) C4'-P energy: -15.703
bonds (distance) P-C4' energy: -16.807
flat angles C4'-P-C4' energy: -17.305
flat angles P-C4'-P energy: -8.162
tors. eta vs tors. theta energy: -8.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -166.808455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.808455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.808455 (E_RNA)
where:
Base-Base interactions energy: -98.672
where: short stacking energy: -46.990
Base-Backbone interact. energy: -0.104
local terms energy: -68.032117
where:
bonds (distance) C4'-P energy: -15.186
bonds (distance) P-C4' energy: -14.934
flat angles C4'-P-C4' energy: -16.732
flat angles P-C4'-P energy: -9.755
tors. eta vs tors. theta energy: -11.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -101.996824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.996824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.996824 (E_RNA)
where:
Base-Base interactions energy: -34.316
where: short stacking energy: -22.662
Base-Backbone interact. energy: -0.282
local terms energy: -67.399059
where:
bonds (distance) C4'-P energy: -20.878
bonds (distance) P-C4' energy: -18.772
flat angles C4'-P-C4' energy: -15.353
flat angles P-C4'-P energy: -10.581
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: 10, replica: 4
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -134.083456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.083456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.083456 (E_RNA)
where:
Base-Base interactions energy: -61.406
where: short stacking energy: -23.813
Base-Backbone interact. energy: -0.210
local terms energy: -72.467779
where:
bonds (distance) C4'-P energy: -17.726
bonds (distance) P-C4' energy: -16.736
flat angles C4'-P-C4' energy: -18.988
flat angles P-C4'-P energy: -14.224
tors. eta vs tors. theta energy: -4.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -304.956374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.956374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.956374 (E_RNA)
where:
Base-Base interactions energy: -208.025
where: short stacking energy: -82.046
Base-Backbone interact. energy: -0.029
local terms energy: -96.902724
where:
bonds (distance) C4'-P energy: -20.855
bonds (distance) P-C4' energy: -18.988
flat angles C4'-P-C4' energy: -23.113
flat angles P-C4'-P energy: -11.411
tors. eta vs tors. theta energy: -22.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -331.965371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.965371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.965371 (E_RNA)
where:
Base-Base interactions energy: -223.931
where: short stacking energy: -97.193
Base-Backbone interact. energy: 0.219
local terms energy: -108.252804
where:
bonds (distance) C4'-P energy: -19.748
bonds (distance) P-C4' energy: -21.128
flat angles C4'-P-C4' energy: -25.449
flat angles P-C4'-P energy: -15.829
tors. eta vs tors. theta energy: -26.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -303.602717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.602717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.602717 (E_RNA)
where:
Base-Base interactions energy: -208.884
where: short stacking energy: -79.547
Base-Backbone interact. energy: -1.298
local terms energy: -93.420960
where:
bonds (distance) C4'-P energy: -17.827
bonds (distance) P-C4' energy: -20.988
flat angles C4'-P-C4' energy: -21.796
flat angles P-C4'-P energy: -11.147
tors. eta vs tors. theta energy: -21.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -307.267964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.267964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.267964 (E_RNA)
where:
Base-Base interactions energy: -219.885
where: short stacking energy: -95.962
Base-Backbone interact. energy: -0.525
local terms energy: -86.858081
where:
bonds (distance) C4'-P energy: -12.664
bonds (distance) P-C4' energy: -11.926
flat angles C4'-P-C4' energy: -23.839
flat angles P-C4'-P energy: -13.101
tors. eta vs tors. theta energy: -25.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -253.236220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.236220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.236220 (E_RNA)
where:
Base-Base interactions energy: -164.442
where: short stacking energy: -70.563
Base-Backbone interact. energy: 0.516
local terms energy: -89.310359
where:
bonds (distance) C4'-P energy: -20.841
bonds (distance) P-C4' energy: -22.681
flat angles C4'-P-C4' energy: -19.936
flat angles P-C4'-P energy: -12.198
tors. eta vs tors. theta energy: -13.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -258.974843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.974843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.974843 (E_RNA)
where:
Base-Base interactions energy: -181.879
where: short stacking energy: -73.232
Base-Backbone interact. energy: -0.260
local terms energy: -76.835507
where:
bonds (distance) C4'-P energy: -15.897
bonds (distance) P-C4' energy: -24.071
flat angles C4'-P-C4' energy: -15.968
flat angles P-C4'-P energy: -6.586
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: 7, replica: 9
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -177.922707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.922707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.922707 (E_RNA)
where:
Base-Base interactions energy: -108.410
where: short stacking energy: -50.758
Base-Backbone interact. energy: -0.288
local terms energy: -69.223958
where:
bonds (distance) C4'-P energy: -16.642
bonds (distance) P-C4' energy: -17.708
flat angles C4'-P-C4' energy: -12.866
flat angles P-C4'-P energy: -13.756
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: 8, replica: 1
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -189.105065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.105065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.105065 (E_RNA)
where:
Base-Base interactions energy: -122.130
where: short stacking energy: -49.432
Base-Backbone interact. energy: -0.518
local terms energy: -66.457264
where:
bonds (distance) C4'-P energy: -10.483
bonds (distance) P-C4' energy: -20.140
flat angles C4'-P-C4' energy: -16.819
flat angles P-C4'-P energy: -13.981
tors. eta vs tors. theta energy: -5.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -108.964616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.964616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.964616 (E_RNA)
where:
Base-Base interactions energy: -41.713
where: short stacking energy: -33.844
Base-Backbone interact. energy: -0.275
local terms energy: -66.976494
where:
bonds (distance) C4'-P energy: -15.967
bonds (distance) P-C4' energy: -15.172
flat angles C4'-P-C4' energy: -21.454
flat angles P-C4'-P energy: -14.160
tors. eta vs tors. theta energy: -0.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -98.688891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.688891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.688891 (E_RNA)
where:
Base-Base interactions energy: -44.092
where: short stacking energy: -26.543
Base-Backbone interact. energy: -1.589
local terms energy: -53.008293
where:
bonds (distance) C4'-P energy: -17.244
bonds (distance) P-C4' energy: -19.257
flat angles C4'-P-C4' energy: -16.289
flat angles P-C4'-P energy: 1.219
tors. eta vs tors. theta energy: -1.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -333.317489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.317489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.317489 (E_RNA)
where:
Base-Base interactions energy: -227.776
where: short stacking energy: -97.247
Base-Backbone interact. energy: -0.082
local terms energy: -105.459932
where:
bonds (distance) C4'-P energy: -17.095
bonds (distance) P-C4' energy: -22.757
flat angles C4'-P-C4' energy: -22.041
flat angles P-C4'-P energy: -14.885
tors. eta vs tors. theta energy: -28.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -301.299212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.299212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.299212 (E_RNA)
where:
Base-Base interactions energy: -197.312
where: short stacking energy: -85.789
Base-Backbone interact. energy: -0.109
local terms energy: -103.878674
where:
bonds (distance) C4'-P energy: -23.228
bonds (distance) P-C4' energy: -21.845
flat angles C4'-P-C4' energy: -23.597
flat angles P-C4'-P energy: -11.087
tors. eta vs tors. theta energy: -24.121
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: 2
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -307.002040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.002040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.002040 (E_RNA)
where:
Base-Base interactions energy: -204.212
where: short stacking energy: -94.757
Base-Backbone interact. energy: -0.266
local terms energy: -102.523943
where:
bonds (distance) C4'-P energy: -19.111
bonds (distance) P-C4' energy: -21.178
flat angles C4'-P-C4' energy: -21.855
flat angles P-C4'-P energy: -13.790
tors. eta vs tors. theta energy: -26.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -301.693714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.693714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.693714 (E_RNA)
where:
Base-Base interactions energy: -207.861
where: short stacking energy: -76.406
Base-Backbone interact. energy: -0.631
local terms energy: -93.201520
where:
bonds (distance) C4'-P energy: -13.631
bonds (distance) P-C4' energy: -23.769
flat angles C4'-P-C4' energy: -19.169
flat angles P-C4'-P energy: -13.460
tors. eta vs tors. theta energy: -23.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -267.519648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.519648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.519648 (E_RNA)
where:
Base-Base interactions energy: -180.325
where: short stacking energy: -78.656
Base-Backbone interact. energy: -0.230
local terms energy: -86.964955
where:
bonds (distance) C4'-P energy: -17.035
bonds (distance) P-C4' energy: -17.741
flat angles C4'-P-C4' energy: -18.398
flat angles P-C4'-P energy: -15.063
tors. eta vs tors. theta energy: -18.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -212.294385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.294385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.294385 (E_RNA)
where:
Base-Base interactions energy: -135.352
where: short stacking energy: -64.363
Base-Backbone interact. energy: -0.142
local terms energy: -76.800376
where:
bonds (distance) C4'-P energy: -18.834
bonds (distance) P-C4' energy: -13.664
flat angles C4'-P-C4' energy: -21.811
flat angles P-C4'-P energy: -8.050
tors. eta vs tors. theta energy: -14.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -178.588341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.588341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.588341 (E_RNA)
where:
Base-Base interactions energy: -105.858
where: short stacking energy: -59.178
Base-Backbone interact. energy: -0.240
local terms energy: -72.490287
where:
bonds (distance) C4'-P energy: -17.991
bonds (distance) P-C4' energy: -21.424
flat angles C4'-P-C4' energy: -16.628
flat angles P-C4'-P energy: -9.967
tors. eta vs tors. theta energy: -6.480
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: 1
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -170.439456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.439456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.439456 (E_RNA)
where:
Base-Base interactions energy: -94.806
where: short stacking energy: -55.332
Base-Backbone interact. energy: -0.085
local terms energy: -75.548729
where:
bonds (distance) C4'-P energy: -14.903
bonds (distance) P-C4' energy: -17.911
flat angles C4'-P-C4' energy: -20.609
flat angles P-C4'-P energy: -11.701
tors. eta vs tors. theta energy: -10.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -121.106785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.106785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.106785 (E_RNA)
where:
Base-Base interactions energy: -48.842
where: short stacking energy: -35.519
Base-Backbone interact. energy: -0.065
local terms energy: -72.199847
where:
bonds (distance) C4'-P energy: -20.053
bonds (distance) P-C4' energy: -20.323
flat angles C4'-P-C4' energy: -16.585
flat angles P-C4'-P energy: -11.139
tors. eta vs tors. theta energy: -4.099
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: 10, replica: 6
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -104.927467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.927467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.927467 (E_RNA)
where:
Base-Base interactions energy: -41.472
where: short stacking energy: -32.393
Base-Backbone interact. energy: -0.496
local terms energy: -62.959728
where:
bonds (distance) C4'-P energy: -18.402
bonds (distance) P-C4' energy: -21.269
flat angles C4'-P-C4' energy: -7.847
flat angles P-C4'-P energy: -12.988
tors. eta vs tors. theta energy: -2.453
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: 7
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -324.560817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.560817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.560817 (E_RNA)
where:
Base-Base interactions energy: -220.181
where: short stacking energy: -95.189
Base-Backbone interact. energy: 0.888
local terms energy: -105.267749
where:
bonds (distance) C4'-P energy: -15.803
bonds (distance) P-C4' energy: -21.875
flat angles C4'-P-C4' energy: -21.316
flat angles P-C4'-P energy: -18.134
tors. eta vs tors. theta energy: -28.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -322.470845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.470845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.470845 (E_RNA)
where:
Base-Base interactions energy: -221.388
where: short stacking energy: -95.570
Base-Backbone interact. energy: -0.746
local terms energy: -100.337136
where:
bonds (distance) C4'-P energy: -18.655
bonds (distance) P-C4' energy: -21.923
flat angles C4'-P-C4' energy: -21.933
flat angles P-C4'-P energy: -12.638
tors. eta vs tors. theta energy: -25.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -299.029840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.029840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.029840 (E_RNA)
where:
Base-Base interactions energy: -201.369
where: short stacking energy: -85.149
Base-Backbone interact. energy: -0.154
local terms energy: -97.507270
where:
bonds (distance) C4'-P energy: -19.258
bonds (distance) P-C4' energy: -22.156
flat angles C4'-P-C4' energy: -23.542
flat angles P-C4'-P energy: -8.131
tors. eta vs tors. theta energy: -24.422
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: 3
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -289.128194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.128194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.128194 (E_RNA)
where:
Base-Base interactions energy: -198.120
where: short stacking energy: -95.805
Base-Backbone interact. energy: -0.176
local terms energy: -90.832030
where:
bonds (distance) C4'-P energy: -17.203
bonds (distance) P-C4' energy: -19.940
flat angles C4'-P-C4' energy: -21.402
flat angles P-C4'-P energy: -7.426
tors. eta vs tors. theta energy: -24.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -263.028040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.028040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.028040 (E_RNA)
where:
Base-Base interactions energy: -180.770
where: short stacking energy: -74.447
Base-Backbone interact. energy: -0.649
local terms energy: -81.609440
where:
bonds (distance) C4'-P energy: -16.266
bonds (distance) P-C4' energy: -16.286
flat angles C4'-P-C4' energy: -12.118
flat angles P-C4'-P energy: -15.967
tors. eta vs tors. theta energy: -20.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -228.041366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.041366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.041366 (E_RNA)
where:
Base-Base interactions energy: -146.555
where: short stacking energy: -63.148
Base-Backbone interact. energy: -0.350
local terms energy: -81.135684
where:
bonds (distance) C4'-P energy: -23.133
bonds (distance) P-C4' energy: -13.151
flat angles C4'-P-C4' energy: -18.522
flat angles P-C4'-P energy: -6.716
tors. eta vs tors. theta energy: -19.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -176.662693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.662693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.662693 (E_RNA)
where:
Base-Base interactions energy: -103.926
where: short stacking energy: -58.450
Base-Backbone interact. energy: -0.018
local terms energy: -72.718910
where:
bonds (distance) C4'-P energy: -20.091
bonds (distance) P-C4' energy: -16.139
flat angles C4'-P-C4' energy: -15.653
flat angles P-C4'-P energy: -6.343
tors. eta vs tors. theta energy: -14.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -168.144911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.144911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.144911 (E_RNA)
where:
Base-Base interactions energy: -91.016
where: short stacking energy: -41.281
Base-Backbone interact. energy: -2.116
local terms energy: -75.013353
where:
bonds (distance) C4'-P energy: -13.577
bonds (distance) P-C4' energy: -22.026
flat angles C4'-P-C4' energy: -15.006
flat angles P-C4'-P energy: -11.909
tors. eta vs tors. theta energy: -12.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -111.530963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.530963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.530963 (E_RNA)
where:
Base-Base interactions energy: -27.091
where: short stacking energy: -27.091
Base-Backbone interact. energy: -0.592
local terms energy: -83.848035
where:
bonds (distance) C4'-P energy: -20.281
bonds (distance) P-C4' energy: -22.391
flat angles C4'-P-C4' energy: -18.507
flat angles P-C4'-P energy: -12.990
tors. eta vs tors. theta energy: -9.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -98.447178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.447178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.447178 (E_RNA)
where:
Base-Base interactions energy: -38.271
where: short stacking energy: -7.809
Base-Backbone interact. energy: -0.124
local terms energy: -60.052639
where:
bonds (distance) C4'-P energy: -14.009
bonds (distance) P-C4' energy: -18.075
flat angles C4'-P-C4' energy: -19.433
flat angles P-C4'-P energy: -13.098
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: 2
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -334.746491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.746491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.746491 (E_RNA)
where:
Base-Base interactions energy: -231.572
where: short stacking energy: -92.049
Base-Backbone interact. energy: 1.148
local terms energy: -104.322004
where:
bonds (distance) C4'-P energy: -21.200
bonds (distance) P-C4' energy: -18.691
flat angles C4'-P-C4' energy: -24.834
flat angles P-C4'-P energy: -12.957
tors. eta vs tors. theta energy: -26.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -327.333272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.333272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.333272 (E_RNA)
where:
Base-Base interactions energy: -224.733
where: short stacking energy: -100.575
Base-Backbone interact. energy: -0.957
local terms energy: -101.643289
where:
bonds (distance) C4'-P energy: -20.066
bonds (distance) P-C4' energy: -21.133
flat angles C4'-P-C4' energy: -21.117
flat angles P-C4'-P energy: -14.833
tors. eta vs tors. theta energy: -24.494
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: 10
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -281.048662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.048662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.048662 (E_RNA)
where:
Base-Base interactions energy: -191.124
where: short stacking energy: -74.107
Base-Backbone interact. energy: -0.600
local terms energy: -89.324626
where:
bonds (distance) C4'-P energy: -19.242
bonds (distance) P-C4' energy: -19.930
flat angles C4'-P-C4' energy: -22.601
flat angles P-C4'-P energy: -7.547
tors. eta vs tors. theta energy: -20.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -289.693736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.693736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.693736 (E_RNA)
where:
Base-Base interactions energy: -199.760
where: short stacking energy: -84.684
Base-Backbone interact. energy: -0.419
local terms energy: -89.514108
where:
bonds (distance) C4'-P energy: -17.329
bonds (distance) P-C4' energy: -20.481
flat angles C4'-P-C4' energy: -19.678
flat angles P-C4'-P energy: -10.359
tors. eta vs tors. theta energy: -21.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -257.139660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.139660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.139660 (E_RNA)
where:
Base-Base interactions energy: -164.733
where: short stacking energy: -73.108
Base-Backbone interact. energy: 0.428
local terms energy: -92.834995
where:
bonds (distance) C4'-P energy: -17.760
bonds (distance) P-C4' energy: -21.504
flat angles C4'-P-C4' energy: -20.925
flat angles P-C4'-P energy: -13.882
tors. eta vs tors. theta energy: -18.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -208.757237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.757237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.757237 (E_RNA)
where:
Base-Base interactions energy: -141.056
where: short stacking energy: -64.502
Base-Backbone interact. energy: -0.117
local terms energy: -67.584680
where:
bonds (distance) C4'-P energy: -17.305
bonds (distance) P-C4' energy: -19.746
flat angles C4'-P-C4' energy: -15.637
flat angles P-C4'-P energy: -7.727
tors. eta vs tors. theta energy: -7.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -174.078321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.078321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.078321 (E_RNA)
where:
Base-Base interactions energy: -97.074
where: short stacking energy: -48.276
Base-Backbone interact. energy: -0.007
local terms energy: -76.997289
where:
bonds (distance) C4'-P energy: -19.292
bonds (distance) P-C4' energy: -18.829
flat angles C4'-P-C4' energy: -19.399
flat angles P-C4'-P energy: -9.725
tors. eta vs tors. theta energy: -9.752
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: 4
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -126.322764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.322764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.322764 (E_RNA)
where:
Base-Base interactions energy: -50.059
where: short stacking energy: -48.317
Base-Backbone interact. energy: -0.792
local terms energy: -75.472544
where:
bonds (distance) C4'-P energy: -19.896
bonds (distance) P-C4' energy: -17.812
flat angles C4'-P-C4' energy: -13.655
flat angles P-C4'-P energy: -12.277
tors. eta vs tors. theta energy: -11.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -125.363732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.363732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.363732 (E_RNA)
where:
Base-Base interactions energy: -68.604
where: short stacking energy: -38.215
Base-Backbone interact. energy: -0.318
local terms energy: -56.440952
where:
bonds (distance) C4'-P energy: -15.189
bonds (distance) P-C4' energy: -15.278
flat angles C4'-P-C4' energy: -12.315
flat angles P-C4'-P energy: -8.477
tors. eta vs tors. theta energy: -5.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -98.798068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.798068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.798068 (E_RNA)
where:
Base-Base interactions energy: -27.595
where: short stacking energy: -27.681
Base-Backbone interact. energy: -0.270
local terms energy: -70.932867
where:
bonds (distance) C4'-P energy: -18.978
bonds (distance) P-C4' energy: -17.039
flat angles C4'-P-C4' energy: -19.362
flat angles P-C4'-P energy: -13.208
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: 1, replica: 2
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -331.266277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.266277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.266277 (E_RNA)
where:
Base-Base interactions energy: -228.861
where: short stacking energy: -105.061
Base-Backbone interact. energy: -0.728
local terms energy: -101.677185
where:
bonds (distance) C4'-P energy: -21.979
bonds (distance) P-C4' energy: -18.443
flat angles C4'-P-C4' energy: -21.735
flat angles P-C4'-P energy: -13.221
tors. eta vs tors. theta energy: -26.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -297.610835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.610835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.610835 (E_RNA)
where:
Base-Base interactions energy: -200.096
where: short stacking energy: -79.928
Base-Backbone interact. energy: -0.572
local terms energy: -96.942553
where:
bonds (distance) C4'-P energy: -21.652
bonds (distance) P-C4' energy: -20.703
flat angles C4'-P-C4' energy: -20.199
flat angles P-C4'-P energy: -15.184
tors. eta vs tors. theta energy: -19.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -311.301928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.301928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.301928 (E_RNA)
where:
Base-Base interactions energy: -209.711
where: short stacking energy: -87.177
Base-Backbone interact. energy: -0.883
local terms energy: -100.708335
where:
bonds (distance) C4'-P energy: -19.726
bonds (distance) P-C4' energy: -20.604
flat angles C4'-P-C4' energy: -22.027
flat angles P-C4'-P energy: -13.562
tors. eta vs tors. theta energy: -24.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -278.561958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.561958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.561958 (E_RNA)
where:
Base-Base interactions energy: -182.319
where: short stacking energy: -75.751
Base-Backbone interact. energy: -0.391
local terms energy: -95.852016
where:
bonds (distance) C4'-P energy: -20.300
bonds (distance) P-C4' energy: -20.580
flat angles C4'-P-C4' energy: -21.574
flat angles P-C4'-P energy: -11.976
tors. eta vs tors. theta energy: -21.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -276.579531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.579531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.579531 (E_RNA)
where:
Base-Base interactions energy: -186.965
where: short stacking energy: -89.368
Base-Backbone interact. energy: -0.141
local terms energy: -89.473470
where:
bonds (distance) C4'-P energy: -18.510
bonds (distance) P-C4' energy: -18.595
flat angles C4'-P-C4' energy: -20.257
flat angles P-C4'-P energy: -10.635
tors. eta vs tors. theta energy: -21.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -186.709782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.709782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.709782 (E_RNA)
where:
Base-Base interactions energy: -107.188
where: short stacking energy: -54.854
Base-Backbone interact. energy: 2.968
local terms energy: -82.490081
where:
bonds (distance) C4'-P energy: -18.932
bonds (distance) P-C4' energy: -19.058
flat angles C4'-P-C4' energy: -19.619
flat angles P-C4'-P energy: -12.386
tors. eta vs tors. theta energy: -12.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -216.383252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.383252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.383252 (E_RNA)
where:
Base-Base interactions energy: -153.308
where: short stacking energy: -48.769
Base-Backbone interact. energy: 1.332
local terms energy: -64.407654
where:
bonds (distance) C4'-P energy: -12.723
bonds (distance) P-C4' energy: -23.110
flat angles C4'-P-C4' energy: -15.589
flat angles P-C4'-P energy: -7.565
tors. eta vs tors. theta energy: -5.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -163.749111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.749111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.749111 (E_RNA)
where:
Base-Base interactions energy: -105.360
where: short stacking energy: -42.870
Base-Backbone interact. energy: -0.901
local terms energy: -57.488427
where:
bonds (distance) C4'-P energy: -13.184
bonds (distance) P-C4' energy: -19.616
flat angles C4'-P-C4' energy: -16.740
flat angles P-C4'-P energy: -5.460
tors. eta vs tors. theta energy: -2.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -111.056161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.056161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.056161 (E_RNA)
where:
Base-Base interactions energy: -60.461
where: short stacking energy: -35.877
Base-Backbone interact. energy: -0.062
local terms energy: -50.533260
where:
bonds (distance) C4'-P energy: -16.873
bonds (distance) P-C4' energy: -8.731
flat angles C4'-P-C4' energy: -14.603
flat angles P-C4'-P energy: -5.476
tors. eta vs tors. theta energy: -4.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -107.249841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.249841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.249841 (E_RNA)
where:
Base-Base interactions energy: -35.126
where: short stacking energy: -32.118
Base-Backbone interact. energy: -0.096
local terms energy: -72.027824
where:
bonds (distance) C4'-P energy: -21.188
bonds (distance) P-C4' energy: -19.437
flat angles C4'-P-C4' energy: -19.055
flat angles P-C4'-P energy: -6.230
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: 1, replica: 2
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -322.237693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.237693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.237693 (E_RNA)
where:
Base-Base interactions energy: -225.963
where: short stacking energy: -94.279
Base-Backbone interact. energy: -0.353
local terms energy: -95.921063
where:
bonds (distance) C4'-P energy: -18.368
bonds (distance) P-C4' energy: -19.715
flat angles C4'-P-C4' energy: -22.452
flat angles P-C4'-P energy: -10.702
tors. eta vs tors. theta energy: -24.685
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: 10
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -295.184643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.184643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.184643 (E_RNA)
where:
Base-Base interactions energy: -198.410
where: short stacking energy: -87.246
Base-Backbone interact. energy: 0.620
local terms energy: -97.394201
where:
bonds (distance) C4'-P energy: -20.787
bonds (distance) P-C4' energy: -22.923
flat angles C4'-P-C4' energy: -19.904
flat angles P-C4'-P energy: -13.530
tors. eta vs tors. theta energy: -20.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -322.482300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.482300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.482300 (E_RNA)
where:
Base-Base interactions energy: -224.339
where: short stacking energy: -91.116
Base-Backbone interact. energy: -0.794
local terms energy: -97.348976
where:
bonds (distance) C4'-P energy: -17.218
bonds (distance) P-C4' energy: -19.840
flat angles C4'-P-C4' energy: -20.876
flat angles P-C4'-P energy: -14.731
tors. eta vs tors. theta energy: -24.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -276.752045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.752045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.752045 (E_RNA)
where:
Base-Base interactions energy: -184.954
where: short stacking energy: -86.516
Base-Backbone interact. energy: -0.592
local terms energy: -91.205967
where:
bonds (distance) C4'-P energy: -17.831
bonds (distance) P-C4' energy: -19.139
flat angles C4'-P-C4' energy: -21.697
flat angles P-C4'-P energy: -13.765
tors. eta vs tors. theta energy: -18.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -278.616831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.616831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.616831 (E_RNA)
where:
Base-Base interactions energy: -194.800
where: short stacking energy: -81.136
Base-Backbone interact. energy: -0.715
local terms energy: -83.102468
where:
bonds (distance) C4'-P energy: -19.209
bonds (distance) P-C4' energy: -19.473
flat angles C4'-P-C4' energy: -15.759
flat angles P-C4'-P energy: -8.732
tors. eta vs tors. theta energy: -19.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -197.966742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.966742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.966742 (E_RNA)
where:
Base-Base interactions energy: -130.229
where: short stacking energy: -64.394
Base-Backbone interact. energy: -0.312
local terms energy: -67.425706
where:
bonds (distance) C4'-P energy: -17.923
bonds (distance) P-C4' energy: -12.748
flat angles C4'-P-C4' energy: -15.083
flat angles P-C4'-P energy: -4.882
tors. eta vs tors. theta energy: -16.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -189.055392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.055392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.055392 (E_RNA)
where:
Base-Base interactions energy: -127.309
where: short stacking energy: -58.606
Base-Backbone interact. energy: 4.527
local terms energy: -66.272965
where:
bonds (distance) C4'-P energy: -13.955
bonds (distance) P-C4' energy: -15.794
flat angles C4'-P-C4' energy: -16.802
flat angles P-C4'-P energy: -6.036
tors. eta vs tors. theta energy: -13.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -216.354786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.354786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.354786 (E_RNA)
where:
Base-Base interactions energy: -142.639
where: short stacking energy: -62.385
Base-Backbone interact. energy: 0.015
local terms energy: -73.731075
where:
bonds (distance) C4'-P energy: -16.803
bonds (distance) P-C4' energy: -18.125
flat angles C4'-P-C4' energy: -14.637
flat angles P-C4'-P energy: -11.437
tors. eta vs tors. theta energy: -12.729
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: 4
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -104.753393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.753393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.753393 (E_RNA)
where:
Base-Base interactions energy: -35.740
where: short stacking energy: -34.424
Base-Backbone interact. energy: -0.012
local terms energy: -69.000859
where:
bonds (distance) C4'-P energy: -15.715
bonds (distance) P-C4' energy: -19.398
flat angles C4'-P-C4' energy: -18.614
flat angles P-C4'-P energy: -10.051
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: 10, replica: 6
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -112.956003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.956003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.956003 (E_RNA)
where:
Base-Base interactions energy: -45.472
where: short stacking energy: -41.203
Base-Backbone interact. energy: -0.536
local terms energy: -66.947841
where:
bonds (distance) C4'-P energy: -22.512
bonds (distance) P-C4' energy: -17.000
flat angles C4'-P-C4' energy: -15.414
flat angles P-C4'-P energy: -10.609
tors. eta vs tors. theta energy: -1.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -330.497128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.497128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.497128 (E_RNA)
where:
Base-Base interactions energy: -228.021
where: short stacking energy: -94.750
Base-Backbone interact. energy: -0.133
local terms energy: -102.343729
where:
bonds (distance) C4'-P energy: -19.400
bonds (distance) P-C4' energy: -22.750
flat angles C4'-P-C4' energy: -21.260
flat angles P-C4'-P energy: -12.090
tors. eta vs tors. theta energy: -26.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -317.895882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.895882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.895882 (E_RNA)
where:
Base-Base interactions energy: -216.761
where: short stacking energy: -98.604
Base-Backbone interact. energy: -0.114
local terms energy: -101.020584
where:
bonds (distance) C4'-P energy: -20.596
bonds (distance) P-C4' energy: -21.207
flat angles C4'-P-C4' energy: -21.068
flat angles P-C4'-P energy: -12.709
tors. eta vs tors. theta energy: -25.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -291.500853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.500853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.500853 (E_RNA)
where:
Base-Base interactions energy: -202.710
where: short stacking energy: -78.210
Base-Backbone interact. energy: -0.132
local terms energy: -88.658487
where:
bonds (distance) C4'-P energy: -19.727
bonds (distance) P-C4' energy: -15.149
flat angles C4'-P-C4' energy: -21.938
flat angles P-C4'-P energy: -13.772
tors. eta vs tors. theta energy: -18.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -282.317872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.317872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.317872 (E_RNA)
where:
Base-Base interactions energy: -193.922
where: short stacking energy: -83.846
Base-Backbone interact. energy: -0.312
local terms energy: -88.083220
where:
bonds (distance) C4'-P energy: -12.626
bonds (distance) P-C4' energy: -19.420
flat angles C4'-P-C4' energy: -20.767
flat angles P-C4'-P energy: -14.942
tors. eta vs tors. theta energy: -20.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -267.970108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.970108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.970108 (E_RNA)
where:
Base-Base interactions energy: -181.255
where: short stacking energy: -71.512
Base-Backbone interact. energy: 3.982
local terms energy: -90.697200
where:
bonds (distance) C4'-P energy: -17.320
bonds (distance) P-C4' energy: -22.641
flat angles C4'-P-C4' energy: -20.515
flat angles P-C4'-P energy: -10.292
tors. eta vs tors. theta energy: -19.929
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: 1
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -194.096137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.096137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.096137 (E_RNA)
where:
Base-Base interactions energy: -116.720
where: short stacking energy: -58.949
Base-Backbone interact. energy: -0.775
local terms energy: -76.600642
where:
bonds (distance) C4'-P energy: -21.884
bonds (distance) P-C4' energy: -19.333
flat angles C4'-P-C4' energy: -18.978
flat angles P-C4'-P energy: -8.052
tors. eta vs tors. theta energy: -8.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -183.417312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.417312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.417312 (E_RNA)
where:
Base-Base interactions energy: -102.999
where: short stacking energy: -50.687
Base-Backbone interact. energy: -0.178
local terms energy: -80.240219
where:
bonds (distance) C4'-P energy: -16.112
bonds (distance) P-C4' energy: -23.559
flat angles C4'-P-C4' energy: -22.718
flat angles P-C4'-P energy: -11.297
tors. eta vs tors. theta energy: -6.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -187.412748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.412748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.412748 (E_RNA)
where:
Base-Base interactions energy: -117.578
where: short stacking energy: -53.455
Base-Backbone interact. energy: 0.184
local terms energy: -70.018735
where:
bonds (distance) C4'-P energy: -15.665
bonds (distance) P-C4' energy: -18.324
flat angles C4'-P-C4' energy: -15.828
flat angles P-C4'-P energy: -11.237
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: 9, replica: 4
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -102.185171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.185171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.185171 (E_RNA)
where:
Base-Base interactions energy: -44.458
where: short stacking energy: -42.897
Base-Backbone interact. energy: -0.079
local terms energy: -57.647881
where:
bonds (distance) C4'-P energy: -7.710
bonds (distance) P-C4' energy: -18.812
flat angles C4'-P-C4' energy: -13.924
flat angles P-C4'-P energy: -10.828
tors. eta vs tors. theta energy: -6.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -101.437220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.437220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.437220 (E_RNA)
where:
Base-Base interactions energy: -36.091
where: short stacking energy: -30.734
Base-Backbone interact. energy: -0.520
local terms energy: -64.825905
where:
bonds (distance) C4'-P energy: -16.734
bonds (distance) P-C4' energy: -16.868
flat angles C4'-P-C4' energy: -16.159
flat angles P-C4'-P energy: -9.921
tors. eta vs tors. theta energy: -5.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -336.206004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.206004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.206004 (E_RNA)
where:
Base-Base interactions energy: -224.301
where: short stacking energy: -98.910
Base-Backbone interact. energy: 0.875
local terms energy: -112.780346
where:
bonds (distance) C4'-P energy: -21.129
bonds (distance) P-C4' energy: -23.843
flat angles C4'-P-C4' energy: -24.468
flat angles P-C4'-P energy: -18.706
tors. eta vs tors. theta energy: -24.634
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: 2
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -323.609283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.609283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.609283 (E_RNA)
where:
Base-Base interactions energy: -217.903
where: short stacking energy: -96.373
Base-Backbone interact. energy: -0.187
local terms energy: -105.519274
where:
bonds (distance) C4'-P energy: -20.319
bonds (distance) P-C4' energy: -18.792
flat angles C4'-P-C4' energy: -23.088
flat angles P-C4'-P energy: -15.362
tors. eta vs tors. theta energy: -27.959
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: 3
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -293.145245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.145245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.145245 (E_RNA)
where:
Base-Base interactions energy: -189.685
where: short stacking energy: -82.812
Base-Backbone interact. energy: -0.013
local terms energy: -103.447510
where:
bonds (distance) C4'-P energy: -22.414
bonds (distance) P-C4' energy: -21.583
flat angles C4'-P-C4' energy: -21.551
flat angles P-C4'-P energy: -17.156
tors. eta vs tors. theta energy: -20.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -285.621546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.621546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.621546 (E_RNA)
where:
Base-Base interactions energy: -207.986
where: short stacking energy: -85.115
Base-Backbone interact. energy: -0.007
local terms energy: -77.628735
where:
bonds (distance) C4'-P energy: -16.448
bonds (distance) P-C4' energy: -18.616
flat angles C4'-P-C4' energy: -13.787
flat angles P-C4'-P energy: -8.485
tors. eta vs tors. theta energy: -20.292
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: 8
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -280.387834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.387834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.387834 (E_RNA)
where:
Base-Base interactions energy: -193.299
where: short stacking energy: -84.413
Base-Backbone interact. energy: -0.630
local terms energy: -86.458851
where:
bonds (distance) C4'-P energy: -17.632
bonds (distance) P-C4' energy: -14.298
flat angles C4'-P-C4' energy: -15.269
flat angles P-C4'-P energy: -15.813
tors. eta vs tors. theta energy: -23.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -244.662281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.662281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.662281 (E_RNA)
where:
Base-Base interactions energy: -158.729
where: short stacking energy: -66.141
Base-Backbone interact. energy: 0.635
local terms energy: -86.567306
where:
bonds (distance) C4'-P energy: -17.718
bonds (distance) P-C4' energy: -20.269
flat angles C4'-P-C4' energy: -21.639
flat angles P-C4'-P energy: -11.646
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: 7, replica: 5
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -161.917883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.917883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.917883 (E_RNA)
where:
Base-Base interactions energy: -98.041
where: short stacking energy: -41.892
Base-Backbone interact. energy: -1.028
local terms energy: -62.848539
where:
bonds (distance) C4'-P energy: -17.180
bonds (distance) P-C4' energy: -18.091
flat angles C4'-P-C4' energy: -16.986
flat angles P-C4'-P energy: -9.341
tors. eta vs tors. theta energy: -1.250
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: 9
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -166.219358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.219358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.219358 (E_RNA)
where:
Base-Base interactions energy: -91.753
where: short stacking energy: -44.395
Base-Backbone interact. energy: -0.465
local terms energy: -74.000896
where:
bonds (distance) C4'-P energy: -20.282
bonds (distance) P-C4' energy: -18.706
flat angles C4'-P-C4' energy: -19.040
flat angles P-C4'-P energy: -12.522
tors. eta vs tors. theta energy: -3.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -111.983377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.983377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.983377 (E_RNA)
where:
Base-Base interactions energy: -44.613
where: short stacking energy: -44.613
Base-Backbone interact. energy: -0.192
local terms energy: -67.178542
where:
bonds (distance) C4'-P energy: -17.404
bonds (distance) P-C4' energy: -14.100
flat angles C4'-P-C4' energy: -16.184
flat angles P-C4'-P energy: -12.114
tors. eta vs tors. theta energy: -7.377
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: 4
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -102.057286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.057286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.057286 (E_RNA)
where:
Base-Base interactions energy: -34.774
where: short stacking energy: -32.014
Base-Backbone interact. energy: -0.232
local terms energy: -67.050894
where:
bonds (distance) C4'-P energy: -21.284
bonds (distance) P-C4' energy: -12.823
flat angles C4'-P-C4' energy: -20.231
flat angles P-C4'-P energy: -10.742
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: 1, replica: 7
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -328.026237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.026237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.026237 (E_RNA)
where:
Base-Base interactions energy: -223.229
where: short stacking energy: -99.136
Base-Backbone interact. energy: -0.812
local terms energy: -103.986029
where:
bonds (distance) C4'-P energy: -19.620
bonds (distance) P-C4' energy: -20.558
flat angles C4'-P-C4' energy: -22.535
flat angles P-C4'-P energy: -13.730
tors. eta vs tors. theta energy: -27.543
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: 2
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -330.334558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.334558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.334558 (E_RNA)
where:
Base-Base interactions energy: -224.985
where: short stacking energy: -98.121
Base-Backbone interact. energy: -0.934
local terms energy: -104.416102
where:
bonds (distance) C4'-P energy: -17.888
bonds (distance) P-C4' energy: -18.930
flat angles C4'-P-C4' energy: -22.056
flat angles P-C4'-P energy: -16.784
tors. eta vs tors. theta energy: -28.758
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: 3, replica: 3
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -297.596287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.596287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.596287 (E_RNA)
where:
Base-Base interactions energy: -199.466
where: short stacking energy: -84.349
Base-Backbone interact. energy: -0.128
local terms energy: -98.002294
where:
bonds (distance) C4'-P energy: -22.106
bonds (distance) P-C4' energy: -18.002
flat angles C4'-P-C4' energy: -21.509
flat angles P-C4'-P energy: -10.930
tors. eta vs tors. theta energy: -25.455
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: 8
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -296.695209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.695209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.695209 (E_RNA)
where:
Base-Base interactions energy: -200.432
where: short stacking energy: -82.514
Base-Backbone interact. energy: 1.486
local terms energy: -97.749769
where:
bonds (distance) C4'-P energy: -15.809
bonds (distance) P-C4' energy: -22.400
flat angles C4'-P-C4' energy: -21.342
flat angles P-C4'-P energy: -15.808
tors. eta vs tors. theta energy: -22.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -285.494461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.494461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.494461 (E_RNA)
where:
Base-Base interactions energy: -203.623
where: short stacking energy: -80.121
Base-Backbone interact. energy: -0.356
local terms energy: -81.514649
where:
bonds (distance) C4'-P energy: -16.588
bonds (distance) P-C4' energy: -15.351
flat angles C4'-P-C4' energy: -20.936
flat angles P-C4'-P energy: -8.465
tors. eta vs tors. theta energy: -20.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -243.191761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.191761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.191761 (E_RNA)
where:
Base-Base interactions energy: -157.405
where: short stacking energy: -74.444
Base-Backbone interact. energy: 0.082
local terms energy: -85.868851
where:
bonds (distance) C4'-P energy: -15.281
bonds (distance) P-C4' energy: -21.586
flat angles C4'-P-C4' energy: -20.048
flat angles P-C4'-P energy: -14.792
tors. eta vs tors. theta energy: -14.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -114.930431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.930431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.930431 (E_RNA)
where:
Base-Base interactions energy: -45.018
where: short stacking energy: -44.953
Base-Backbone interact. energy: -0.169
local terms energy: -69.743535
where:
bonds (distance) C4'-P energy: -11.375
bonds (distance) P-C4' energy: -18.607
flat angles C4'-P-C4' energy: -21.238
flat angles P-C4'-P energy: -15.320
tors. eta vs tors. theta energy: -3.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -174.437621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.437621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.437621 (E_RNA)
where:
Base-Base interactions energy: -100.004
where: short stacking energy: -55.426
Base-Backbone interact. energy: 0.133
local terms energy: -74.565997
where:
bonds (distance) C4'-P energy: -14.635
bonds (distance) P-C4' energy: -19.920
flat angles C4'-P-C4' energy: -18.807
flat angles P-C4'-P energy: -12.032
tors. eta vs tors. theta energy: -9.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -111.082547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.082547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.082547 (E_RNA)
where:
Base-Base interactions energy: -49.990
where: short stacking energy: -49.990
Base-Backbone interact. energy: -0.060
local terms energy: -61.032968
where:
bonds (distance) C4'-P energy: -18.622
bonds (distance) P-C4' energy: -11.909
flat angles C4'-P-C4' energy: -18.846
flat angles P-C4'-P energy: -5.723
tors. eta vs tors. theta energy: -5.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -104.286273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.286273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.286273 (E_RNA)
where:
Base-Base interactions energy: -43.759
where: short stacking energy: -39.676
Base-Backbone interact. energy: -0.615
local terms energy: -59.912757
where:
bonds (distance) C4'-P energy: -16.698
bonds (distance) P-C4' energy: -15.979
flat angles C4'-P-C4' energy: -16.150
flat angles P-C4'-P energy: -9.081
tors. eta vs tors. theta energy: -2.004
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: 2
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -339.402072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.402072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.402072 (E_RNA)
where:
Base-Base interactions energy: -230.180
where: short stacking energy: -108.634
Base-Backbone interact. energy: -0.114
local terms energy: -109.107506
where:
bonds (distance) C4'-P energy: -19.967
bonds (distance) P-C4' energy: -18.794
flat angles C4'-P-C4' energy: -24.352
flat angles P-C4'-P energy: -16.758
tors. eta vs tors. theta energy: -29.237
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: 314
Temperature: 0.950000
Total energy: -332.929938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.929938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.929938 (E_RNA)
where:
Base-Base interactions energy: -229.735
where: short stacking energy: -100.209
Base-Backbone interact. energy: -0.116
local terms energy: -103.078962
where:
bonds (distance) C4'-P energy: -19.757
bonds (distance) P-C4' energy: -21.915
flat angles C4'-P-C4' energy: -17.339
flat angles P-C4'-P energy: -16.329
tors. eta vs tors. theta energy: -27.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -288.971868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.971868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.971868 (E_RNA)
where:
Base-Base interactions energy: -197.750
where: short stacking energy: -86.923
Base-Backbone interact. energy: -1.250
local terms energy: -89.971518
where:
bonds (distance) C4'-P energy: -21.370
bonds (distance) P-C4' energy: -18.667
flat angles C4'-P-C4' energy: -16.366
flat angles P-C4'-P energy: -11.312
tors. eta vs tors. theta energy: -22.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -266.127266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.127266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.127266 (E_RNA)
where:
Base-Base interactions energy: -178.222
where: short stacking energy: -78.232
Base-Backbone interact. energy: -0.122
local terms energy: -87.783521
where:
bonds (distance) C4'-P energy: -22.068
bonds (distance) P-C4' energy: -18.700
flat angles C4'-P-C4' energy: -20.924
flat angles P-C4'-P energy: -11.188
tors. eta vs tors. theta energy: -14.903
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: 10
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -273.361054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.361054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.361054 (E_RNA)
where:
Base-Base interactions energy: -181.256
where: short stacking energy: -67.980
Base-Backbone interact. energy: 0.819
local terms energy: -92.923875
where:
bonds (distance) C4'-P energy: -18.216
bonds (distance) P-C4' energy: -17.053
flat angles C4'-P-C4' energy: -23.654
flat angles P-C4'-P energy: -12.986
tors. eta vs tors. theta energy: -21.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -237.966925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.966925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.966925 (E_RNA)
where:
Base-Base interactions energy: -154.251
where: short stacking energy: -53.974
Base-Backbone interact. energy: -0.682
local terms energy: -83.034453
where:
bonds (distance) C4'-P energy: -11.104
bonds (distance) P-C4' energy: -21.626
flat angles C4'-P-C4' energy: -18.211
flat angles P-C4'-P energy: -14.411
tors. eta vs tors. theta energy: -17.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -188.626133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.626133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.626133 (E_RNA)
where:
Base-Base interactions energy: -104.980
where: short stacking energy: -61.509
Base-Backbone interact. energy: -0.050
local terms energy: -83.595766
where:
bonds (distance) C4'-P energy: -20.754
bonds (distance) P-C4' energy: -19.579
flat angles C4'-P-C4' energy: -18.082
flat angles P-C4'-P energy: -11.947
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: 8, replica: 5
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -110.028310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.028310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.028310 (E_RNA)
where:
Base-Base interactions energy: -47.069
where: short stacking energy: -41.561
Base-Backbone interact. energy: 2.745
local terms energy: -65.704197
where:
bonds (distance) C4'-P energy: -14.196
bonds (distance) P-C4' energy: -20.270
flat angles C4'-P-C4' energy: -17.846
flat angles P-C4'-P energy: -9.368
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: 9, replica: 6
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -123.313883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.313883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.313883 (E_RNA)
where:
Base-Base interactions energy: -56.125
where: short stacking energy: -51.160
Base-Backbone interact. energy: -0.981
local terms energy: -66.207547
where:
bonds (distance) C4'-P energy: -12.254
bonds (distance) P-C4' energy: -18.215
flat angles C4'-P-C4' energy: -14.304
flat angles P-C4'-P energy: -14.284
tors. eta vs tors. theta energy: -7.150
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: 4
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -110.731236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.731236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.731236 (E_RNA)
where:
Base-Base interactions energy: -44.605
where: short stacking energy: -44.605
Base-Backbone interact. energy: -0.093
local terms energy: -66.033851
where:
bonds (distance) C4'-P energy: -10.574
bonds (distance) P-C4' energy: -18.248
flat angles C4'-P-C4' energy: -19.324
flat angles P-C4'-P energy: -8.685
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: 1, replica: 2
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -327.806106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.806106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.806106 (E_RNA)
where:
Base-Base interactions energy: -222.094
where: short stacking energy: -95.217
Base-Backbone interact. energy: -0.823
local terms energy: -104.888877
where:
bonds (distance) C4'-P energy: -20.514
bonds (distance) P-C4' energy: -22.340
flat angles C4'-P-C4' energy: -20.915
flat angles P-C4'-P energy: -17.530
tors. eta vs tors. theta energy: -23.590
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: 8
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -300.029152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.029152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.029152 (E_RNA)
where:
Base-Base interactions energy: -199.028
where: short stacking energy: -92.614
Base-Backbone interact. energy: -0.439
local terms energy: -100.562211
where:
bonds (distance) C4'-P energy: -22.708
bonds (distance) P-C4' energy: -17.092
flat angles C4'-P-C4' energy: -22.035
flat angles P-C4'-P energy: -14.873
tors. eta vs tors. theta energy: -23.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -309.683751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.683751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.683751 (E_RNA)
where:
Base-Base interactions energy: -208.641
where: short stacking energy: -91.387
Base-Backbone interact. energy: -0.636
local terms energy: -100.406578
where:
bonds (distance) C4'-P energy: -19.596
bonds (distance) P-C4' energy: -22.066
flat angles C4'-P-C4' energy: -20.666
flat angles P-C4'-P energy: -12.883
tors. eta vs tors. theta energy: -25.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -290.341440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.341440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.341440 (E_RNA)
where:
Base-Base interactions energy: -197.146
where: short stacking energy: -79.784
Base-Backbone interact. energy: -0.656
local terms energy: -92.539566
where:
bonds (distance) C4'-P energy: -22.944
bonds (distance) P-C4' energy: -20.911
flat angles C4'-P-C4' energy: -20.095
flat angles P-C4'-P energy: -11.296
tors. eta vs tors. theta energy: -17.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -278.388135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.388135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.388135 (E_RNA)
where:
Base-Base interactions energy: -184.885
where: short stacking energy: -71.368
Base-Backbone interact. energy: 1.707
local terms energy: -95.209892
where:
bonds (distance) C4'-P energy: -19.784
bonds (distance) P-C4' energy: -19.165
flat angles C4'-P-C4' energy: -21.021
flat angles P-C4'-P energy: -12.675
tors. eta vs tors. theta energy: -22.565
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: 1
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -249.465885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.465885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.465885 (E_RNA)
where:
Base-Base interactions energy: -162.519
where: short stacking energy: -72.820
Base-Backbone interact. energy: -0.749
local terms energy: -86.197678
where:
bonds (distance) C4'-P energy: -11.200
bonds (distance) P-C4' energy: -19.800
flat angles C4'-P-C4' energy: -23.122
flat angles P-C4'-P energy: -11.997
tors. eta vs tors. theta energy: -20.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -182.731216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.731216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.731216 (E_RNA)
where:
Base-Base interactions energy: -105.377
where: short stacking energy: -68.361
Base-Backbone interact. energy: -0.013
local terms energy: -77.341065
where:
bonds (distance) C4'-P energy: -15.670
bonds (distance) P-C4' energy: -16.842
flat angles C4'-P-C4' energy: -16.924
flat angles P-C4'-P energy: -12.849
tors. eta vs tors. theta energy: -15.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -106.486451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.486451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.486451 (E_RNA)
where:
Base-Base interactions energy: -38.328
where: short stacking energy: -34.862
Base-Backbone interact. energy: 0.873
local terms energy: -69.031286
where:
bonds (distance) C4'-P energy: -16.590
bonds (distance) P-C4' energy: -19.187
flat angles C4'-P-C4' energy: -14.374
flat angles P-C4'-P energy: -14.977
tors. eta vs tors. theta energy: -3.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -99.377738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.377738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.377738 (E_RNA)
where:
Base-Base interactions energy: -36.369
where: short stacking energy: -31.358
Base-Backbone interact. energy: -0.056
local terms energy: -62.952529
where:
bonds (distance) C4'-P energy: -19.346
bonds (distance) P-C4' energy: -18.125
flat angles C4'-P-C4' energy: -14.587
flat angles P-C4'-P energy: -9.986
tors. eta vs tors. theta energy: -0.909
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: 4
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -95.626830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.626830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.626830 (E_RNA)
where:
Base-Base interactions energy: -33.379
where: short stacking energy: -32.720
Base-Backbone interact. energy: -0.226
local terms energy: -62.021748
where:
bonds (distance) C4'-P energy: -19.031
bonds (distance) P-C4' energy: -14.860
flat angles C4'-P-C4' energy: -17.014
flat angles P-C4'-P energy: -12.549
tors. eta vs tors. theta energy: 1.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -329.481165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.481165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.481165 (E_RNA)
where:
Base-Base interactions energy: -226.627
where: short stacking energy: -94.123
Base-Backbone interact. energy: -0.176
local terms energy: -102.677614
where:
bonds (distance) C4'-P energy: -20.323
bonds (distance) P-C4' energy: -21.929
flat angles C4'-P-C4' energy: -24.593
flat angles P-C4'-P energy: -10.082
tors. eta vs tors. theta energy: -25.751
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: 2, replica: 8
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -291.644888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.644888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.644888 (E_RNA)
where:
Base-Base interactions energy: -194.814
where: short stacking energy: -89.194
Base-Backbone interact. energy: -0.733
local terms energy: -96.098622
where:
bonds (distance) C4'-P energy: -21.011
bonds (distance) P-C4' energy: -13.793
flat angles C4'-P-C4' energy: -21.754
flat angles P-C4'-P energy: -16.739
tors. eta vs tors. theta energy: -22.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -312.392236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.392236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.392236 (E_RNA)
where:
Base-Base interactions energy: -207.957
where: short stacking energy: -86.735
Base-Backbone interact. energy: -1.520
local terms energy: -102.915397
where:
bonds (distance) C4'-P energy: -15.337
bonds (distance) P-C4' energy: -22.750
flat angles C4'-P-C4' energy: -23.126
flat angles P-C4'-P energy: -15.007
tors. eta vs tors. theta energy: -26.694
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: 10
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -283.659591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.659591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.659591 (E_RNA)
where:
Base-Base interactions energy: -197.516
where: short stacking energy: -84.925
Base-Backbone interact. energy: -0.005
local terms energy: -86.137905
where:
bonds (distance) C4'-P energy: -17.616
bonds (distance) P-C4' energy: -20.604
flat angles C4'-P-C4' energy: -14.037
flat angles P-C4'-P energy: -13.278
tors. eta vs tors. theta energy: -20.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -285.661154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.661154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.661154 (E_RNA)
where:
Base-Base interactions energy: -188.781
where: short stacking energy: -77.322
Base-Backbone interact. energy: 1.386
local terms energy: -98.266494
where:
bonds (distance) C4'-P energy: -17.467
bonds (distance) P-C4' energy: -22.233
flat angles C4'-P-C4' energy: -21.406
flat angles P-C4'-P energy: -17.717
tors. eta vs tors. theta energy: -19.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -238.680369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.680369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.680369 (E_RNA)
where:
Base-Base interactions energy: -143.966
where: short stacking energy: -64.626
Base-Backbone interact. energy: -0.105
local terms energy: -94.608935
where:
bonds (distance) C4'-P energy: -23.265
bonds (distance) P-C4' energy: -21.430
flat angles C4'-P-C4' energy: -20.406
flat angles P-C4'-P energy: -11.708
tors. eta vs tors. theta energy: -17.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -175.690601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.690601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.690601 (E_RNA)
where:
Base-Base interactions energy: -92.531
where: short stacking energy: -47.578
Base-Backbone interact. energy: -0.072
local terms energy: -83.087756
where:
bonds (distance) C4'-P energy: -19.449
bonds (distance) P-C4' energy: -19.689
flat angles C4'-P-C4' energy: -18.037
flat angles P-C4'-P energy: -13.338
tors. eta vs tors. theta energy: -12.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -144.989651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.989651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.989651 (E_RNA)
where:
Base-Base interactions energy: -73.559
where: short stacking energy: -42.850
Base-Backbone interact. energy: -0.494
local terms energy: -70.937086
where:
bonds (distance) C4'-P energy: -14.391
bonds (distance) P-C4' energy: -20.170
flat angles C4'-P-C4' energy: -18.198
flat angles P-C4'-P energy: -14.577
tors. eta vs tors. theta energy: -3.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -128.246128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.246128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.246128 (E_RNA)
where:
Base-Base interactions energy: -58.224
where: short stacking energy: -54.052
Base-Backbone interact. energy: -0.072
local terms energy: -69.950665
where:
bonds (distance) C4'-P energy: -13.996
bonds (distance) P-C4' energy: -17.907
flat angles C4'-P-C4' energy: -15.824
flat angles P-C4'-P energy: -9.752
tors. eta vs tors. theta energy: -12.472
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: 5
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -96.374730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.374730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.374730 (E_RNA)
where:
Base-Base interactions energy: -41.081
where: short stacking energy: -35.698
Base-Backbone interact. energy: -0.320
local terms energy: -54.973087
where:
bonds (distance) C4'-P energy: -15.432
bonds (distance) P-C4' energy: -16.070
flat angles C4'-P-C4' energy: -10.569
flat angles P-C4'-P energy: -13.016
tors. eta vs tors. theta energy: 0.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -338.215295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.215295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.215295 (E_RNA)
where:
Base-Base interactions energy: -228.481
where: short stacking energy: -98.165
Base-Backbone interact. energy: -0.183
local terms energy: -109.550938
where:
bonds (distance) C4'-P energy: -21.668
bonds (distance) P-C4' energy: -21.746
flat angles C4'-P-C4' energy: -22.081
flat angles P-C4'-P energy: -18.736
tors. eta vs tors. theta energy: -25.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -323.349689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.349689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.349689 (E_RNA)
where:
Base-Base interactions energy: -224.709
where: short stacking energy: -98.147
Base-Backbone interact. energy: -0.122
local terms energy: -98.519486
where:
bonds (distance) C4'-P energy: -21.639
bonds (distance) P-C4' energy: -17.866
flat angles C4'-P-C4' energy: -18.517
flat angles P-C4'-P energy: -11.077
tors. eta vs tors. theta energy: -29.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -300.279628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.279628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.279628 (E_RNA)
where:
Base-Base interactions energy: -211.776
where: short stacking energy: -84.964
Base-Backbone interact. energy: -1.139
local terms energy: -87.364533
where:
bonds (distance) C4'-P energy: -19.297
bonds (distance) P-C4' energy: -17.122
flat angles C4'-P-C4' energy: -18.335
flat angles P-C4'-P energy: -9.443
tors. eta vs tors. theta energy: -23.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -274.519159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.519159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.519159 (E_RNA)
where:
Base-Base interactions energy: -178.364
where: short stacking energy: -74.533
Base-Backbone interact. energy: 0.483
local terms energy: -96.638116
where:
bonds (distance) C4'-P energy: -19.697
bonds (distance) P-C4' energy: -20.082
flat angles C4'-P-C4' energy: -22.460
flat angles P-C4'-P energy: -11.901
tors. eta vs tors. theta energy: -22.498
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: 10
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -275.524556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.524556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.524556 (E_RNA)
where:
Base-Base interactions energy: -196.860
where: short stacking energy: -80.318
Base-Backbone interact. energy: -0.076
local terms energy: -78.588233
where:
bonds (distance) C4'-P energy: -17.819
bonds (distance) P-C4' energy: -15.405
flat angles C4'-P-C4' energy: -17.740
flat angles P-C4'-P energy: -11.744
tors. eta vs tors. theta energy: -15.881
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: 1
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -248.474795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.474795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.474795 (E_RNA)
where:
Base-Base interactions energy: -157.206
where: short stacking energy: -66.696
Base-Backbone interact. energy: 0.234
local terms energy: -91.502881
where:
bonds (distance) C4'-P energy: -20.696
bonds (distance) P-C4' energy: -21.393
flat angles C4'-P-C4' energy: -18.381
flat angles P-C4'-P energy: -15.365
tors. eta vs tors. theta energy: -15.668
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: 9
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -179.869537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.869537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.869537 (E_RNA)
where:
Base-Base interactions energy: -115.968
where: short stacking energy: -66.808
Base-Backbone interact. energy: 0.631
local terms energy: -64.532455
where:
bonds (distance) C4'-P energy: -16.114
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -16.479
flat angles P-C4'-P energy: -2.855
tors. eta vs tors. theta energy: -14.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -162.447873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.447873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.447873 (E_RNA)
where:
Base-Base interactions energy: -90.709
where: short stacking energy: -50.003
Base-Backbone interact. energy: -0.933
local terms energy: -70.805883
where:
bonds (distance) C4'-P energy: -14.888
bonds (distance) P-C4' energy: -17.663
flat angles C4'-P-C4' energy: -14.902
flat angles P-C4'-P energy: -11.999
tors. eta vs tors. theta energy: -11.355
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: 4
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -93.388149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.388149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.388149 (E_RNA)
where:
Base-Base interactions energy: -33.121
where: short stacking energy: -29.344
Base-Backbone interact. energy: -0.262
local terms energy: -60.004500
where:
bonds (distance) C4'-P energy: -17.679
bonds (distance) P-C4' energy: -19.922
flat angles C4'-P-C4' energy: -13.614
flat angles P-C4'-P energy: -7.193
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: 10, replica: 5
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -100.738009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.738009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.738009 (E_RNA)
where:
Base-Base interactions energy: -27.338
where: short stacking energy: -25.325
Base-Backbone interact. energy: -1.633
local terms energy: -71.767124
where:
bonds (distance) C4'-P energy: -22.403
bonds (distance) P-C4' energy: -17.533
flat angles C4'-P-C4' energy: -12.717
flat angles P-C4'-P energy: -9.875
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: 1, replica: 2
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -327.078385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.078385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.078385 (E_RNA)
where:
Base-Base interactions energy: -225.628
where: short stacking energy: -102.619
Base-Backbone interact. energy: 0.142
local terms energy: -101.592202
where:
bonds (distance) C4'-P energy: -13.728
bonds (distance) P-C4' energy: -21.457
flat angles C4'-P-C4' energy: -23.979
flat angles P-C4'-P energy: -14.807
tors. eta vs tors. theta energy: -27.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -325.607351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.607351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.607351 (E_RNA)
where:
Base-Base interactions energy: -224.419
where: short stacking energy: -93.923
Base-Backbone interact. energy: -0.103
local terms energy: -101.085520
where:
bonds (distance) C4'-P energy: -14.101
bonds (distance) P-C4' energy: -21.567
flat angles C4'-P-C4' energy: -20.718
flat angles P-C4'-P energy: -15.923
tors. eta vs tors. theta energy: -28.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -287.526377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.526377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.526377 (E_RNA)
where:
Base-Base interactions energy: -194.232
where: short stacking energy: -86.897
Base-Backbone interact. energy: -0.005
local terms energy: -93.288552
where:
bonds (distance) C4'-P energy: -15.648
bonds (distance) P-C4' energy: -20.394
flat angles C4'-P-C4' energy: -20.485
flat angles P-C4'-P energy: -12.423
tors. eta vs tors. theta energy: -24.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -288.575621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.575621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.575621 (E_RNA)
where:
Base-Base interactions energy: -196.259
where: short stacking energy: -84.749
Base-Backbone interact. energy: -1.059
local terms energy: -91.257825
where:
bonds (distance) C4'-P energy: -13.782
bonds (distance) P-C4' energy: -20.030
flat angles C4'-P-C4' energy: -19.609
flat angles P-C4'-P energy: -12.769
tors. eta vs tors. theta energy: -25.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -266.388257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.388257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.388257 (E_RNA)
where:
Base-Base interactions energy: -177.702
where: short stacking energy: -63.440
Base-Backbone interact. energy: -0.627
local terms energy: -88.059411
where:
bonds (distance) C4'-P energy: -20.852
bonds (distance) P-C4' energy: -19.377
flat angles C4'-P-C4' energy: -22.576
flat angles P-C4'-P energy: -8.914
tors. eta vs tors. theta energy: -16.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -233.472673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.472673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.472673 (E_RNA)
where:
Base-Base interactions energy: -163.457
where: short stacking energy: -68.207
Base-Backbone interact. energy: 0.623
local terms energy: -70.638922
where:
bonds (distance) C4'-P energy: -15.053
bonds (distance) P-C4' energy: -18.018
flat angles C4'-P-C4' energy: -18.810
flat angles P-C4'-P energy: -9.708
tors. eta vs tors. theta energy: -9.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -178.931736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.931736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.931736 (E_RNA)
where:
Base-Base interactions energy: -102.890
where: short stacking energy: -58.858
Base-Backbone interact. energy: -0.126
local terms energy: -75.915345
where:
bonds (distance) C4'-P energy: -17.094
bonds (distance) P-C4' energy: -17.689
flat angles C4'-P-C4' energy: -19.674
flat angles P-C4'-P energy: -11.093
tors. eta vs tors. theta energy: -10.366
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: 9
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -164.773406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.773406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.773406 (E_RNA)
where:
Base-Base interactions energy: -93.066
where: short stacking energy: -46.943
Base-Backbone interact. energy: -0.357
local terms energy: -71.350181
where:
bonds (distance) C4'-P energy: -18.517
bonds (distance) P-C4' energy: -19.400
flat angles C4'-P-C4' energy: -16.865
flat angles P-C4'-P energy: -10.601
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: 9, replica: 5
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -109.073705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.073705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.073705 (E_RNA)
where:
Base-Base interactions energy: -50.449
where: short stacking energy: -46.515
Base-Backbone interact. energy: 0.396
local terms energy: -59.021060
where:
bonds (distance) C4'-P energy: -21.138
bonds (distance) P-C4' energy: -18.169
flat angles C4'-P-C4' energy: -6.578
flat angles P-C4'-P energy: -11.370
tors. eta vs tors. theta energy: -1.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -96.702083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.702083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.702083 (E_RNA)
where:
Base-Base interactions energy: -41.438
where: short stacking energy: -32.986
Base-Backbone interact. energy: -0.278
local terms energy: -54.985825
where:
bonds (distance) C4'-P energy: -19.764
bonds (distance) P-C4' energy: -18.273
flat angles C4'-P-C4' energy: -16.836
flat angles P-C4'-P energy: -3.111
tors. eta vs tors. theta energy: 2.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -330.531015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.531015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.531015 (E_RNA)
where:
Base-Base interactions energy: -221.702
where: short stacking energy: -95.618
Base-Backbone interact. energy: -1.175
local terms energy: -107.653913
where:
bonds (distance) C4'-P energy: -19.118
bonds (distance) P-C4' energy: -21.120
flat angles C4'-P-C4' energy: -24.224
flat angles P-C4'-P energy: -15.743
tors. eta vs tors. theta energy: -27.450
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: 7
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -327.242049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.242049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.242049 (E_RNA)
where:
Base-Base interactions energy: -225.905
where: short stacking energy: -99.053
Base-Backbone interact. energy: -0.548
local terms energy: -100.789196
where:
bonds (distance) C4'-P energy: -19.971
bonds (distance) P-C4' energy: -17.220
flat angles C4'-P-C4' energy: -22.412
flat angles P-C4'-P energy: -13.263
tors. eta vs tors. theta energy: -27.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -287.091827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.091827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.091827 (E_RNA)
where:
Base-Base interactions energy: -200.955
where: short stacking energy: -86.709
Base-Backbone interact. energy: -0.704
local terms energy: -85.433088
where:
bonds (distance) C4'-P energy: -17.087
bonds (distance) P-C4' energy: -18.802
flat angles C4'-P-C4' energy: -18.091
flat angles P-C4'-P energy: -10.468
tors. eta vs tors. theta energy: -20.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -274.032681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.032681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.032681 (E_RNA)
where:
Base-Base interactions energy: -187.400
where: short stacking energy: -71.523
Base-Backbone interact. energy: -0.406
local terms energy: -86.227253
where:
bonds (distance) C4'-P energy: -17.935
bonds (distance) P-C4' energy: -20.302
flat angles C4'-P-C4' energy: -17.470
flat angles P-C4'-P energy: -12.048
tors. eta vs tors. theta energy: -18.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -282.456947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.456947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.456947 (E_RNA)
where:
Base-Base interactions energy: -193.486
where: short stacking energy: -81.785
Base-Backbone interact. energy: -0.489
local terms energy: -88.482300
where:
bonds (distance) C4'-P energy: -15.185
bonds (distance) P-C4' energy: -17.815
flat angles C4'-P-C4' energy: -17.828
flat angles P-C4'-P energy: -11.640
tors. eta vs tors. theta energy: -26.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -248.400971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.400971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.400971 (E_RNA)
where:
Base-Base interactions energy: -158.854
where: short stacking energy: -69.309
Base-Backbone interact. energy: 1.960
local terms energy: -91.507459
where:
bonds (distance) C4'-P energy: -14.270
bonds (distance) P-C4' energy: -21.951
flat angles C4'-P-C4' energy: -19.440
flat angles P-C4'-P energy: -17.195
tors. eta vs tors. theta energy: -18.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -185.227476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.227476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.227476 (E_RNA)
where:
Base-Base interactions energy: -104.445
where: short stacking energy: -57.586
Base-Backbone interact. energy: 2.245
local terms energy: -83.027545
where:
bonds (distance) C4'-P energy: -21.642
bonds (distance) P-C4' energy: -16.220
flat angles C4'-P-C4' energy: -19.359
flat angles P-C4'-P energy: -14.072
tors. eta vs tors. theta energy: -11.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -186.274771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.274771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.274771 (E_RNA)
where:
Base-Base interactions energy: -120.059
where: short stacking energy: -44.292
Base-Backbone interact. energy: 0.755
local terms energy: -66.970525
where:
bonds (distance) C4'-P energy: -16.576
bonds (distance) P-C4' energy: -19.161
flat angles C4'-P-C4' energy: -17.075
flat angles P-C4'-P energy: -9.211
tors. eta vs tors. theta energy: -4.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -106.137947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.137947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.137947 (E_RNA)
where:
Base-Base interactions energy: -36.913
where: short stacking energy: -36.453
Base-Backbone interact. energy: 0.191
local terms energy: -69.415955
where:
bonds (distance) C4'-P energy: -19.718
bonds (distance) P-C4' energy: -22.982
flat angles C4'-P-C4' energy: -13.451
flat angles P-C4'-P energy: -9.491
tors. eta vs tors. theta energy: -3.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -115.337925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.337925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.337925 (E_RNA)
where:
Base-Base interactions energy: -46.925
where: short stacking energy: -42.606
Base-Backbone interact. energy: -0.104
local terms energy: -68.309229
where:
bonds (distance) C4'-P energy: -19.110
bonds (distance) P-C4' energy: -22.644
flat angles C4'-P-C4' energy: -13.456
flat angles P-C4'-P energy: -6.189
tors. eta vs tors. theta energy: -6.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -328.404983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.404983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.404983 (E_RNA)
where:
Base-Base interactions energy: -225.391
where: short stacking energy: -96.315
Base-Backbone interact. energy: -0.091
local terms energy: -102.922474
where:
bonds (distance) C4'-P energy: -18.105
bonds (distance) P-C4' energy: -19.920
flat angles C4'-P-C4' energy: -22.966
flat angles P-C4'-P energy: -18.208
tors. eta vs tors. theta energy: -23.723
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: 320
Temperature: 0.950000
Total energy: -324.796349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.796349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.796349 (E_RNA)
where:
Base-Base interactions energy: -230.372
where: short stacking energy: -99.460
Base-Backbone interact. energy: -0.093
local terms energy: -94.331975
where:
bonds (distance) C4'-P energy: -18.034
bonds (distance) P-C4' energy: -17.733
flat angles C4'-P-C4' energy: -18.037
flat angles P-C4'-P energy: -13.950
tors. eta vs tors. theta energy: -26.579
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: 10
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -273.322296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.322296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.322296 (E_RNA)
where:
Base-Base interactions energy: -183.449
where: short stacking energy: -71.521
Base-Backbone interact. energy: 0.448
local terms energy: -90.321241
where:
bonds (distance) C4'-P energy: -16.594
bonds (distance) P-C4' energy: -18.791
flat angles C4'-P-C4' energy: -21.487
flat angles P-C4'-P energy: -12.820
tors. eta vs tors. theta energy: -20.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -295.196044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.196044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.196044 (E_RNA)
where:
Base-Base interactions energy: -195.697
where: short stacking energy: -80.285
Base-Backbone interact. energy: -0.377
local terms energy: -99.122394
where:
bonds (distance) C4'-P energy: -18.741
bonds (distance) P-C4' energy: -18.308
flat angles C4'-P-C4' energy: -22.159
flat angles P-C4'-P energy: -16.658
tors. eta vs tors. theta energy: -23.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -277.953617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.953617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.953617 (E_RNA)
where:
Base-Base interactions energy: -200.068
where: short stacking energy: -82.913
Base-Backbone interact. energy: -0.885
local terms energy: -77.000100
where:
bonds (distance) C4'-P energy: -13.327
bonds (distance) P-C4' energy: -20.374
flat angles C4'-P-C4' energy: -14.953
flat angles P-C4'-P energy: -13.430
tors. eta vs tors. theta energy: -14.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -245.025861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.025861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.025861 (E_RNA)
where:
Base-Base interactions energy: -162.036
where: short stacking energy: -77.829
Base-Backbone interact. energy: 2.144
local terms energy: -85.134401
where:
bonds (distance) C4'-P energy: -15.405
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -19.032
flat angles P-C4'-P energy: -18.635
tors. eta vs tors. theta energy: -17.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -178.250831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.250831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.250831 (E_RNA)
where:
Base-Base interactions energy: -100.676
where: short stacking energy: -50.244
Base-Backbone interact. energy: 1.368
local terms energy: -78.942586
where:
bonds (distance) C4'-P energy: -20.402
bonds (distance) P-C4' energy: -15.563
flat angles C4'-P-C4' energy: -21.296
flat angles P-C4'-P energy: -12.252
tors. eta vs tors. theta energy: -9.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -170.234197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.234197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.234197 (E_RNA)
where:
Base-Base interactions energy: -92.438
where: short stacking energy: -48.936
Base-Backbone interact. energy: -0.119
local terms energy: -77.676670
where:
bonds (distance) C4'-P energy: -11.881
bonds (distance) P-C4' energy: -17.932
flat angles C4'-P-C4' energy: -18.937
flat angles P-C4'-P energy: -15.422
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: 9, replica: 4
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -115.071481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.071481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.071481 (E_RNA)
where:
Base-Base interactions energy: -45.311
where: short stacking energy: -40.836
Base-Backbone interact. energy: -0.101
local terms energy: -69.659536
where:
bonds (distance) C4'-P energy: -16.526
bonds (distance) P-C4' energy: -17.803
flat angles C4'-P-C4' energy: -20.781
flat angles P-C4'-P energy: -9.478
tors. eta vs tors. theta energy: -5.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -101.068388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.068388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.068388 (E_RNA)
where:
Base-Base interactions energy: -34.265
where: short stacking energy: -30.676
Base-Backbone interact. energy: 0.648
local terms energy: -67.450676
where:
bonds (distance) C4'-P energy: -17.281
bonds (distance) P-C4' energy: -21.439
flat angles C4'-P-C4' energy: -14.442
flat angles P-C4'-P energy: -11.242
tors. eta vs tors. theta energy: -3.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -323.356350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.356350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.356350 (E_RNA)
where:
Base-Base interactions energy: -224.138
where: short stacking energy: -95.239
Base-Backbone interact. energy: -0.791
local terms energy: -98.427280
where:
bonds (distance) C4'-P energy: -15.372
bonds (distance) P-C4' energy: -22.052
flat angles C4'-P-C4' energy: -19.750
flat angles P-C4'-P energy: -17.467
tors. eta vs tors. theta energy: -23.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -318.790274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.790274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.790274 (E_RNA)
where:
Base-Base interactions energy: -214.088
where: short stacking energy: -87.253
Base-Backbone interact. energy: -1.331
local terms energy: -103.372178
where:
bonds (distance) C4'-P energy: -20.038
bonds (distance) P-C4' energy: -19.644
flat angles C4'-P-C4' energy: -21.879
flat angles P-C4'-P energy: -15.728
tors. eta vs tors. theta energy: -26.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -273.907608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.907608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.907608 (E_RNA)
where:
Base-Base interactions energy: -182.951
where: short stacking energy: -67.482
Base-Backbone interact. energy: -0.102
local terms energy: -90.854856
where:
bonds (distance) C4'-P energy: -16.590
bonds (distance) P-C4' energy: -20.769
flat angles C4'-P-C4' energy: -20.910
flat angles P-C4'-P energy: -15.103
tors. eta vs tors. theta energy: -17.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -285.968665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.968665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.968665 (E_RNA)
where:
Base-Base interactions energy: -185.602
where: short stacking energy: -73.332
Base-Backbone interact. energy: -0.533
local terms energy: -99.833380
where:
bonds (distance) C4'-P energy: -20.443
bonds (distance) P-C4' energy: -23.695
flat angles C4'-P-C4' energy: -20.911
flat angles P-C4'-P energy: -16.984
tors. eta vs tors. theta energy: -17.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -283.789759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.789759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.789759 (E_RNA)
where:
Base-Base interactions energy: -192.877
where: short stacking energy: -78.380
Base-Backbone interact. energy: -0.699
local terms energy: -90.214252
where:
bonds (distance) C4'-P energy: -16.225
bonds (distance) P-C4' energy: -22.636
flat angles C4'-P-C4' energy: -18.924
flat angles P-C4'-P energy: -6.021
tors. eta vs tors. theta energy: -26.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -257.326054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.326054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.326054 (E_RNA)
where:
Base-Base interactions energy: -165.429
where: short stacking energy: -73.121
Base-Backbone interact. energy: -0.336
local terms energy: -91.560453
where:
bonds (distance) C4'-P energy: -23.763
bonds (distance) P-C4' energy: -19.200
flat angles C4'-P-C4' energy: -17.569
flat angles P-C4'-P energy: -12.597
tors. eta vs tors. theta energy: -18.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -161.882158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.882158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.882158 (E_RNA)
where:
Base-Base interactions energy: -102.715
where: short stacking energy: -43.287
Base-Backbone interact. energy: 5.210
local terms energy: -64.376954
where:
bonds (distance) C4'-P energy: -16.829
bonds (distance) P-C4' energy: -15.575
flat angles C4'-P-C4' energy: -19.018
flat angles P-C4'-P energy: -7.412
tors. eta vs tors. theta energy: -5.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -174.152327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.152327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.152327 (E_RNA)
where:
Base-Base interactions energy: -94.082
where: short stacking energy: -50.722
Base-Backbone interact. energy: -0.941
local terms energy: -79.129428
where:
bonds (distance) C4'-P energy: -20.218
bonds (distance) P-C4' energy: -18.871
flat angles C4'-P-C4' energy: -18.159
flat angles P-C4'-P energy: -14.219
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: 9, replica: 4
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -102.495275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.495275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.495275 (E_RNA)
where:
Base-Base interactions energy: -39.723
where: short stacking energy: -39.153
Base-Backbone interact. energy: 0.044
local terms energy: -62.816328
where:
bonds (distance) C4'-P energy: -9.653
bonds (distance) P-C4' energy: -22.676
flat angles C4'-P-C4' energy: -16.203
flat angles P-C4'-P energy: -12.447
tors. eta vs tors. theta energy: -1.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -106.181661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.181661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.181661 (E_RNA)
where:
Base-Base interactions energy: -44.551
where: short stacking energy: -21.932
Base-Backbone interact. energy: -0.021
local terms energy: -61.608867
where:
bonds (distance) C4'-P energy: -20.992
bonds (distance) P-C4' energy: -20.288
flat angles C4'-P-C4' energy: -11.007
flat angles P-C4'-P energy: -10.856
tors. eta vs tors. theta energy: 1.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -340.034273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.034273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.034273 (E_RNA)
where:
Base-Base interactions energy: -232.412
where: short stacking energy: -99.539
Base-Backbone interact. energy: -0.490
local terms energy: -107.132185
where:
bonds (distance) C4'-P energy: -22.475
bonds (distance) P-C4' energy: -21.432
flat angles C4'-P-C4' energy: -19.613
flat angles P-C4'-P energy: -15.070
tors. eta vs tors. theta energy: -28.541
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: 7
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -324.529053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.529053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.529053 (E_RNA)
where:
Base-Base interactions energy: -220.253
where: short stacking energy: -92.748
Base-Backbone interact. energy: 1.057
local terms energy: -105.332808
where:
bonds (distance) C4'-P energy: -15.350
bonds (distance) P-C4' energy: -24.392
flat angles C4'-P-C4' energy: -23.863
flat angles P-C4'-P energy: -14.605
tors. eta vs tors. theta energy: -27.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -294.374769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.374769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.374769 (E_RNA)
where:
Base-Base interactions energy: -197.423
where: short stacking energy: -92.046
Base-Backbone interact. energy: -0.014
local terms energy: -96.938340
where:
bonds (distance) C4'-P energy: -21.130
bonds (distance) P-C4' energy: -19.633
flat angles C4'-P-C4' energy: -17.906
flat angles P-C4'-P energy: -15.503
tors. eta vs tors. theta energy: -22.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -290.962568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.962568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.962568 (E_RNA)
where:
Base-Base interactions energy: -200.096
where: short stacking energy: -68.757
Base-Backbone interact. energy: -0.784
local terms energy: -90.083197
where:
bonds (distance) C4'-P energy: -20.265
bonds (distance) P-C4' energy: -19.706
flat angles C4'-P-C4' energy: -20.224
flat angles P-C4'-P energy: -13.743
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: 8
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -277.189649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.189649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.189649 (E_RNA)
where:
Base-Base interactions energy: -181.918
where: short stacking energy: -80.264
Base-Backbone interact. energy: -0.683
local terms energy: -94.588408
where:
bonds (distance) C4'-P energy: -18.099
bonds (distance) P-C4' energy: -23.783
flat angles C4'-P-C4' energy: -21.250
flat angles P-C4'-P energy: -9.374
tors. eta vs tors. theta energy: -22.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -261.780312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.780312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.780312 (E_RNA)
where:
Base-Base interactions energy: -164.932
where: short stacking energy: -77.425
Base-Backbone interact. energy: -0.198
local terms energy: -96.650772
where:
bonds (distance) C4'-P energy: -16.784
bonds (distance) P-C4' energy: -19.495
flat angles C4'-P-C4' energy: -20.929
flat angles P-C4'-P energy: -17.880
tors. eta vs tors. theta energy: -21.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -235.358045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.358045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.358045 (E_RNA)
where:
Base-Base interactions energy: -153.046
where: short stacking energy: -59.356
Base-Backbone interact. energy: 1.281
local terms energy: -83.592447
where:
bonds (distance) C4'-P energy: -21.775
bonds (distance) P-C4' energy: -18.402
flat angles C4'-P-C4' energy: -14.815
flat angles P-C4'-P energy: -12.744
tors. eta vs tors. theta energy: -15.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -120.587362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.587362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.587362 (E_RNA)
where:
Base-Base interactions energy: -58.161
where: short stacking energy: -30.876
Base-Backbone interact. energy: -0.431
local terms energy: -61.995084
where:
bonds (distance) C4'-P energy: -16.867
bonds (distance) P-C4' energy: -17.639
flat angles C4'-P-C4' energy: -17.435
flat angles P-C4'-P energy: -10.782
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: 9, replica: 4
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -111.688877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.688877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.688877 (E_RNA)
where:
Base-Base interactions energy: -53.954
where: short stacking energy: -53.954
Base-Backbone interact. energy: -0.221
local terms energy: -57.514122
where:
bonds (distance) C4'-P energy: -11.175
bonds (distance) P-C4' energy: -14.527
flat angles C4'-P-C4' energy: -16.168
flat angles P-C4'-P energy: -5.231
tors. eta vs tors. theta energy: -10.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -108.767934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.767934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.767934 (E_RNA)
where:
Base-Base interactions energy: -33.453
where: short stacking energy: -32.005
Base-Backbone interact. energy: 1.007
local terms energy: -76.321476
where:
bonds (distance) C4'-P energy: -15.259
bonds (distance) P-C4' energy: -16.563
flat angles C4'-P-C4' energy: -16.241
flat angles P-C4'-P energy: -17.831
tors. eta vs tors. theta energy: -10.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -339.371813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.371813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.371813 (E_RNA)
where:
Base-Base interactions energy: -234.001
where: short stacking energy: -95.213
Base-Backbone interact. energy: -0.678
local terms energy: -104.692822
where:
bonds (distance) C4'-P energy: -23.664
bonds (distance) P-C4' energy: -23.384
flat angles C4'-P-C4' energy: -21.285
flat angles P-C4'-P energy: -12.197
tors. eta vs tors. theta energy: -24.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -319.030875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.030875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.030875 (E_RNA)
where:
Base-Base interactions energy: -220.360
where: short stacking energy: -97.175
Base-Backbone interact. energy: -0.120
local terms energy: -98.550296
where:
bonds (distance) C4'-P energy: -23.109
bonds (distance) P-C4' energy: -17.663
flat angles C4'-P-C4' energy: -17.860
flat angles P-C4'-P energy: -14.436
tors. eta vs tors. theta energy: -25.483
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: 3, replica: 3
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -294.722360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.722360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.722360 (E_RNA)
where:
Base-Base interactions energy: -199.007
where: short stacking energy: -87.581
Base-Backbone interact. energy: -0.605
local terms energy: -95.110252
where:
bonds (distance) C4'-P energy: -21.768
bonds (distance) P-C4' energy: -18.790
flat angles C4'-P-C4' energy: -19.658
flat angles P-C4'-P energy: -10.561
tors. eta vs tors. theta energy: -24.333
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: 4, replica: 10
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -300.613450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.613450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.613450 (E_RNA)
where:
Base-Base interactions energy: -215.871
where: short stacking energy: -88.684
Base-Backbone interact. energy: -0.729
local terms energy: -84.012831
where:
bonds (distance) C4'-P energy: -20.638
bonds (distance) P-C4' energy: -15.550
flat angles C4'-P-C4' energy: -22.713
flat angles P-C4'-P energy: -8.374
tors. eta vs tors. theta energy: -16.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -262.825974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.825974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.825974 (E_RNA)
where:
Base-Base interactions energy: -178.423
where: short stacking energy: -77.239
Base-Backbone interact. energy: -0.489
local terms energy: -83.913921
where:
bonds (distance) C4'-P energy: -18.518
bonds (distance) P-C4' energy: -10.010
flat angles C4'-P-C4' energy: -22.029
flat angles P-C4'-P energy: -13.968
tors. eta vs tors. theta energy: -19.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -261.588085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.588085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.588085 (E_RNA)
where:
Base-Base interactions energy: -175.807
where: short stacking energy: -66.098
Base-Backbone interact. energy: -0.394
local terms energy: -85.387074
where:
bonds (distance) C4'-P energy: -12.664
bonds (distance) P-C4' energy: -24.116
flat angles C4'-P-C4' energy: -20.922
flat angles P-C4'-P energy: -9.644
tors. eta vs tors. theta energy: -18.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -249.369624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.369624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.369624 (E_RNA)
where:
Base-Base interactions energy: -160.153
where: short stacking energy: -68.194
Base-Backbone interact. energy: -0.385
local terms energy: -88.831853
where:
bonds (distance) C4'-P energy: -16.617
bonds (distance) P-C4' energy: -21.599
flat angles C4'-P-C4' energy: -16.489
flat angles P-C4'-P energy: -13.796
tors. eta vs tors. theta energy: -20.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -104.799263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.799263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.799263 (E_RNA)
where:
Base-Base interactions energy: -45.705
where: short stacking energy: -25.634
Base-Backbone interact. energy: -0.308
local terms energy: -58.785678
where:
bonds (distance) C4'-P energy: -16.005
bonds (distance) P-C4' energy: -19.637
flat angles C4'-P-C4' energy: -19.668
flat angles P-C4'-P energy: -8.616
tors. eta vs tors. theta energy: 5.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -117.978042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.978042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.978042 (E_RNA)
where:
Base-Base interactions energy: -50.307
where: short stacking energy: -44.602
Base-Backbone interact. energy: -0.340
local terms energy: -67.331038
where:
bonds (distance) C4'-P energy: -17.487
bonds (distance) P-C4' energy: -21.405
flat angles C4'-P-C4' energy: -14.035
flat angles P-C4'-P energy: -8.562
tors. eta vs tors. theta energy: -5.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -100.362341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.362341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.362341 (E_RNA)
where:
Base-Base interactions energy: -37.502
where: short stacking energy: -27.414
Base-Backbone interact. energy: -1.270
local terms energy: -61.590603
where:
bonds (distance) C4'-P energy: -22.749
bonds (distance) P-C4' energy: -18.559
flat angles C4'-P-C4' energy: -14.567
flat angles P-C4'-P energy: -7.597
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: 1, replica: 2
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -340.239582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.239582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.239582 (E_RNA)
where:
Base-Base interactions energy: -241.917
where: short stacking energy: -98.710
Base-Backbone interact. energy: -0.969
local terms energy: -97.353793
where:
bonds (distance) C4'-P energy: -20.430
bonds (distance) P-C4' energy: -20.205
flat angles C4'-P-C4' energy: -21.282
flat angles P-C4'-P energy: -11.015
tors. eta vs tors. theta energy: -24.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -317.377668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.377668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.377668 (E_RNA)
where:
Base-Base interactions energy: -217.673
where: short stacking energy: -98.281
Base-Backbone interact. energy: -0.225
local terms energy: -99.479743
where:
bonds (distance) C4'-P energy: -17.220
bonds (distance) P-C4' energy: -21.443
flat angles C4'-P-C4' energy: -21.128
flat angles P-C4'-P energy: -13.740
tors. eta vs tors. theta energy: -25.950
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: 3, replica: 10
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -299.500617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.500617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.500617 (E_RNA)
where:
Base-Base interactions energy: -216.489
where: short stacking energy: -90.837
Base-Backbone interact. energy: -0.121
local terms energy: -82.889868
where:
bonds (distance) C4'-P energy: -16.458
bonds (distance) P-C4' energy: -17.038
flat angles C4'-P-C4' energy: -19.720
flat angles P-C4'-P energy: -9.697
tors. eta vs tors. theta energy: -19.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -292.970474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.970474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.970474 (E_RNA)
where:
Base-Base interactions energy: -190.075
where: short stacking energy: -88.768
Base-Backbone interact. energy: -0.031
local terms energy: -102.864100
where:
bonds (distance) C4'-P energy: -16.087
bonds (distance) P-C4' energy: -20.294
flat angles C4'-P-C4' energy: -22.796
flat angles P-C4'-P energy: -15.813
tors. eta vs tors. theta energy: -27.873
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: 5, replica: 6
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -277.776609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.776609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.776609 (E_RNA)
where:
Base-Base interactions energy: -186.932
where: short stacking energy: -77.777
Base-Backbone interact. energy: -0.581
local terms energy: -90.263351
where:
bonds (distance) C4'-P energy: -16.304
bonds (distance) P-C4' energy: -19.824
flat angles C4'-P-C4' energy: -21.492
flat angles P-C4'-P energy: -14.027
tors. eta vs tors. theta energy: -18.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -266.845575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.845575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.845575 (E_RNA)
where:
Base-Base interactions energy: -186.267
where: short stacking energy: -83.089
Base-Backbone interact. energy: -0.958
local terms energy: -79.620297
where:
bonds (distance) C4'-P energy: -9.509
bonds (distance) P-C4' energy: -14.765
flat angles C4'-P-C4' energy: -17.767
flat angles P-C4'-P energy: -11.585
tors. eta vs tors. theta energy: -25.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -237.594372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.594372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.594372 (E_RNA)
where:
Base-Base interactions energy: -155.094
where: short stacking energy: -71.618
Base-Backbone interact. energy: -0.119
local terms energy: -82.380936
where:
bonds (distance) C4'-P energy: -13.460
bonds (distance) P-C4' energy: -21.200
flat angles C4'-P-C4' energy: -18.230
flat angles P-C4'-P energy: -14.856
tors. eta vs tors. theta energy: -14.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -164.773249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.773249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.773249 (E_RNA)
where:
Base-Base interactions energy: -96.010
where: short stacking energy: -52.139
Base-Backbone interact. energy: -0.298
local terms energy: -68.465242
where:
bonds (distance) C4'-P energy: -13.513
bonds (distance) P-C4' energy: -19.801
flat angles C4'-P-C4' energy: -20.464
flat angles P-C4'-P energy: -7.945
tors. eta vs tors. theta energy: -6.742
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: 5
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -105.262158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.262158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.262158 (E_RNA)
where:
Base-Base interactions energy: -38.285
where: short stacking energy: -38.285
Base-Backbone interact. energy: 0.974
local terms energy: -67.950994
where:
bonds (distance) C4'-P energy: -15.210
bonds (distance) P-C4' energy: -16.556
flat angles C4'-P-C4' energy: -13.638
flat angles P-C4'-P energy: -14.555
tors. eta vs tors. theta energy: -7.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -107.451325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.451325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.451325 (E_RNA)
where:
Base-Base interactions energy: -29.620
where: short stacking energy: -25.437
Base-Backbone interact. energy: -0.158
local terms energy: -77.673448
where:
bonds (distance) C4'-P energy: -20.998
bonds (distance) P-C4' energy: -22.141
flat angles C4'-P-C4' energy: -16.203
flat angles P-C4'-P energy: -9.738
tors. eta vs tors. theta energy: -8.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -329.729068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.729068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.729068 (E_RNA)
where:
Base-Base interactions energy: -221.849
where: short stacking energy: -92.310
Base-Backbone interact. energy: -0.081
local terms energy: -107.800001
where:
bonds (distance) C4'-P energy: -22.546
bonds (distance) P-C4' energy: -20.542
flat angles C4'-P-C4' energy: -21.294
flat angles P-C4'-P energy: -15.093
tors. eta vs tors. theta energy: -28.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -315.970977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.970977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.970977 (E_RNA)
where:
Base-Base interactions energy: -217.246
where: short stacking energy: -95.784
Base-Backbone interact. energy: -0.235
local terms energy: -98.490116
where:
bonds (distance) C4'-P energy: -17.657
bonds (distance) P-C4' energy: -23.955
flat angles C4'-P-C4' energy: -20.093
flat angles P-C4'-P energy: -12.860
tors. eta vs tors. theta energy: -23.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -302.631007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.631007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.631007 (E_RNA)
where:
Base-Base interactions energy: -208.653
where: short stacking energy: -77.521
Base-Backbone interact. energy: -0.383
local terms energy: -93.594710
where:
bonds (distance) C4'-P energy: -17.898
bonds (distance) P-C4' energy: -16.518
flat angles C4'-P-C4' energy: -25.334
flat angles P-C4'-P energy: -15.438
tors. eta vs tors. theta energy: -18.408
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: 4, replica: 3
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -291.663085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.663085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.663085 (E_RNA)
where:
Base-Base interactions energy: -195.327
where: short stacking energy: -84.395
Base-Backbone interact. energy: -0.061
local terms energy: -96.275824
where:
bonds (distance) C4'-P energy: -20.606
bonds (distance) P-C4' energy: -22.487
flat angles C4'-P-C4' energy: -23.212
flat angles P-C4'-P energy: -10.685
tors. eta vs tors. theta energy: -19.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -279.836209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.836209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.836209 (E_RNA)
where:
Base-Base interactions energy: -191.875
where: short stacking energy: -83.968
Base-Backbone interact. energy: -0.099
local terms energy: -87.862159
where:
bonds (distance) C4'-P energy: -16.456
bonds (distance) P-C4' energy: -20.760
flat angles C4'-P-C4' energy: -17.349
flat angles P-C4'-P energy: -9.885
tors. eta vs tors. theta energy: -23.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -230.334641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.334641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.334641 (E_RNA)
where:
Base-Base interactions energy: -154.965
where: short stacking energy: -59.397
Base-Backbone interact. energy: 0.597
local terms energy: -75.966497
where:
bonds (distance) C4'-P energy: -19.272
bonds (distance) P-C4' energy: -16.749
flat angles C4'-P-C4' energy: -14.033
flat angles P-C4'-P energy: -11.108
tors. eta vs tors. theta energy: -14.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -274.184639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.184639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.184639 (E_RNA)
where:
Base-Base interactions energy: -181.520
where: short stacking energy: -82.006
Base-Backbone interact. energy: -0.171
local terms energy: -92.492787
where:
bonds (distance) C4'-P energy: -19.283
bonds (distance) P-C4' energy: -22.387
flat angles C4'-P-C4' energy: -19.383
flat angles P-C4'-P energy: -10.644
tors. eta vs tors. theta energy: -20.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -179.576021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.576021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.576021 (E_RNA)
where:
Base-Base interactions energy: -97.284
where: short stacking energy: -54.797
Base-Backbone interact. energy: -0.058
local terms energy: -82.233676
where:
bonds (distance) C4'-P energy: -17.796
bonds (distance) P-C4' energy: -21.767
flat angles C4'-P-C4' energy: -10.761
flat angles P-C4'-P energy: -16.483
tors. eta vs tors. theta energy: -15.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -105.211691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.211691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.211691 (E_RNA)
where:
Base-Base interactions energy: -37.922
where: short stacking energy: -37.922
Base-Backbone interact. energy: -0.590
local terms energy: -66.699428
where:
bonds (distance) C4'-P energy: -20.286
bonds (distance) P-C4' energy: -17.511
flat angles C4'-P-C4' energy: -16.971
flat angles P-C4'-P energy: -5.093
tors. eta vs tors. theta energy: -6.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -109.271436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.271436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.271436 (E_RNA)
where:
Base-Base interactions energy: -47.842
where: short stacking energy: -32.172
Base-Backbone interact. energy: -0.887
local terms energy: -60.542185
where:
bonds (distance) C4'-P energy: -18.170
bonds (distance) P-C4' energy: -17.122
flat angles C4'-P-C4' energy: -15.327
flat angles P-C4'-P energy: -9.974
tors. eta vs tors. theta energy: 0.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -329.262765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.262765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.262765 (E_RNA)
where:
Base-Base interactions energy: -219.718
where: short stacking energy: -92.856
Base-Backbone interact. energy: 0.206
local terms energy: -109.751127
where:
bonds (distance) C4'-P energy: -21.867
bonds (distance) P-C4' energy: -24.599
flat angles C4'-P-C4' energy: -17.281
flat angles P-C4'-P energy: -16.992
tors. eta vs tors. theta energy: -29.013
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: 326
Temperature: 0.950000
Total energy: -322.456893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.456893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.456893 (E_RNA)
where:
Base-Base interactions energy: -225.295
where: short stacking energy: -92.687
Base-Backbone interact. energy: 0.351
local terms energy: -97.513221
where:
bonds (distance) C4'-P energy: -15.396
bonds (distance) P-C4' energy: -19.042
flat angles C4'-P-C4' energy: -23.910
flat angles P-C4'-P energy: -13.484
tors. eta vs tors. theta energy: -25.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -295.329437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.329437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.329437 (E_RNA)
where:
Base-Base interactions energy: -200.864
where: short stacking energy: -88.612
Base-Backbone interact. energy: 1.089
local terms energy: -95.554533
where:
bonds (distance) C4'-P energy: -21.605
bonds (distance) P-C4' energy: -16.116
flat angles C4'-P-C4' energy: -17.205
flat angles P-C4'-P energy: -15.224
tors. eta vs tors. theta energy: -25.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -292.457685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.457685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.457685 (E_RNA)
where:
Base-Base interactions energy: -202.070
where: short stacking energy: -77.087
Base-Backbone interact. energy: -1.310
local terms energy: -89.077089
where:
bonds (distance) C4'-P energy: -16.199
bonds (distance) P-C4' energy: -20.308
flat angles C4'-P-C4' energy: -23.871
flat angles P-C4'-P energy: -10.690
tors. eta vs tors. theta energy: -18.008
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: 6
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -289.783983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.783983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.783983 (E_RNA)
where:
Base-Base interactions energy: -192.795
where: short stacking energy: -81.370
Base-Backbone interact. energy: 0.395
local terms energy: -97.383961
where:
bonds (distance) C4'-P energy: -19.610
bonds (distance) P-C4' energy: -18.701
flat angles C4'-P-C4' energy: -17.693
flat angles P-C4'-P energy: -17.297
tors. eta vs tors. theta energy: -24.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -269.020936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.020936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.020936 (E_RNA)
where:
Base-Base interactions energy: -181.572
where: short stacking energy: -69.874
Base-Backbone interact. energy: 1.341
local terms energy: -88.789731
where:
bonds (distance) C4'-P energy: -16.723
bonds (distance) P-C4' energy: -20.517
flat angles C4'-P-C4' energy: -13.893
flat angles P-C4'-P energy: -13.385
tors. eta vs tors. theta energy: -24.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -246.225067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.225067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.225067 (E_RNA)
where:
Base-Base interactions energy: -163.118
where: short stacking energy: -64.487
Base-Backbone interact. energy: -0.825
local terms energy: -82.282662
where:
bonds (distance) C4'-P energy: -16.161
bonds (distance) P-C4' energy: -16.087
flat angles C4'-P-C4' energy: -23.863
flat angles P-C4'-P energy: -9.339
tors. eta vs tors. theta energy: -16.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -179.337071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.337071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.337071 (E_RNA)
where:
Base-Base interactions energy: -113.424
where: short stacking energy: -59.541
Base-Backbone interact. energy: -0.707
local terms energy: -65.205542
where:
bonds (distance) C4'-P energy: -16.834
bonds (distance) P-C4' energy: -19.154
flat angles C4'-P-C4' energy: -10.555
flat angles P-C4'-P energy: -8.925
tors. eta vs tors. theta energy: -9.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -107.752255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.752255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.752255 (E_RNA)
where:
Base-Base interactions energy: -55.467
where: short stacking energy: -29.463
Base-Backbone interact. energy: -1.133
local terms energy: -51.151677
where:
bonds (distance) C4'-P energy: -20.053
bonds (distance) P-C4' energy: -15.362
flat angles C4'-P-C4' energy: -7.913
flat angles P-C4'-P energy: -7.226
tors. eta vs tors. theta energy: -0.599
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: 5
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -106.440217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.440217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.440217 (E_RNA)
where:
Base-Base interactions energy: -44.200
where: short stacking energy: -36.551
Base-Backbone interact. energy: -0.039
local terms energy: -62.200809
where:
bonds (distance) C4'-P energy: -18.257
bonds (distance) P-C4' energy: -17.552
flat angles C4'-P-C4' energy: -18.292
flat angles P-C4'-P energy: -6.705
tors. eta vs tors. theta energy: -1.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -335.467264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.467264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.467264 (E_RNA)
where:
Base-Base interactions energy: -229.357
where: short stacking energy: -102.536
Base-Backbone interact. energy: -0.075
local terms energy: -106.035032
where:
bonds (distance) C4'-P energy: -15.980
bonds (distance) P-C4' energy: -22.858
flat angles C4'-P-C4' energy: -23.692
flat angles P-C4'-P energy: -14.306
tors. eta vs tors. theta energy: -29.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -318.911342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.911342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.911342 (E_RNA)
where:
Base-Base interactions energy: -217.814
where: short stacking energy: -94.600
Base-Backbone interact. energy: 0.208
local terms energy: -101.305502
where:
bonds (distance) C4'-P energy: -19.094
bonds (distance) P-C4' energy: -18.313
flat angles C4'-P-C4' energy: -19.638
flat angles P-C4'-P energy: -16.506
tors. eta vs tors. theta energy: -27.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -298.053071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.053071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.053071 (E_RNA)
where:
Base-Base interactions energy: -198.295
where: short stacking energy: -91.754
Base-Backbone interact. energy: 1.668
local terms energy: -101.425973
where:
bonds (distance) C4'-P energy: -18.466
bonds (distance) P-C4' energy: -20.492
flat angles C4'-P-C4' energy: -23.028
flat angles P-C4'-P energy: -17.881
tors. eta vs tors. theta energy: -21.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -292.560585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.560585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.560585 (E_RNA)
where:
Base-Base interactions energy: -194.740
where: short stacking energy: -81.982
Base-Backbone interact. energy: -1.768
local terms energy: -96.052246
where:
bonds (distance) C4'-P energy: -17.890
bonds (distance) P-C4' energy: -17.626
flat angles C4'-P-C4' energy: -24.137
flat angles P-C4'-P energy: -15.755
tors. eta vs tors. theta energy: -20.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -284.959312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.959312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.959312 (E_RNA)
where:
Base-Base interactions energy: -192.697
where: short stacking energy: -80.539
Base-Backbone interact. energy: -0.614
local terms energy: -91.648959
where:
bonds (distance) C4'-P energy: -22.294
bonds (distance) P-C4' energy: -21.866
flat angles C4'-P-C4' energy: -15.917
flat angles P-C4'-P energy: -7.277
tors. eta vs tors. theta energy: -24.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -246.030883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.030883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.030883 (E_RNA)
where:
Base-Base interactions energy: -168.468
where: short stacking energy: -65.656
Base-Backbone interact. energy: -0.359
local terms energy: -77.203437
where:
bonds (distance) C4'-P energy: -19.595
bonds (distance) P-C4' energy: -18.821
flat angles C4'-P-C4' energy: -14.047
flat angles P-C4'-P energy: -16.334
tors. eta vs tors. theta energy: -8.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -271.414338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.414338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.414338 (E_RNA)
where:
Base-Base interactions energy: -184.755
where: short stacking energy: -80.178
Base-Backbone interact. energy: 0.345
local terms energy: -87.003463
where:
bonds (distance) C4'-P energy: -18.165
bonds (distance) P-C4' energy: -15.748
flat angles C4'-P-C4' energy: -19.949
flat angles P-C4'-P energy: -12.873
tors. eta vs tors. theta energy: -20.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -171.182523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.182523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.182523 (E_RNA)
where:
Base-Base interactions energy: -107.237
where: short stacking energy: -41.736
Base-Backbone interact. energy: 4.171
local terms energy: -68.116449
where:
bonds (distance) C4'-P energy: -17.330
bonds (distance) P-C4' energy: -17.850
flat angles C4'-P-C4' energy: -16.292
flat angles P-C4'-P energy: -9.054
tors. eta vs tors. theta energy: -7.590
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: 9
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -112.115481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.115481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.115481 (E_RNA)
where:
Base-Base interactions energy: -54.488
where: short stacking energy: -50.262
Base-Backbone interact. energy: -0.943
local terms energy: -56.684589
where:
bonds (distance) C4'-P energy: -16.102
bonds (distance) P-C4' energy: -16.171
flat angles C4'-P-C4' energy: -12.088
flat angles P-C4'-P energy: -5.660
tors. eta vs tors. theta energy: -6.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -103.963019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.963019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.963019 (E_RNA)
where:
Base-Base interactions energy: -43.631
where: short stacking energy: -36.626
Base-Backbone interact. energy: 0.203
local terms energy: -60.535093
where:
bonds (distance) C4'-P energy: -11.148
bonds (distance) P-C4' energy: -15.116
flat angles C4'-P-C4' energy: -16.311
flat angles P-C4'-P energy: -12.611
tors. eta vs tors. theta energy: -5.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -323.981166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.981166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.981166 (E_RNA)
where:
Base-Base interactions energy: -218.695
where: short stacking energy: -98.333
Base-Backbone interact. energy: -0.143
local terms energy: -105.143624
where:
bonds (distance) C4'-P energy: -16.925
bonds (distance) P-C4' energy: -21.292
flat angles C4'-P-C4' energy: -20.748
flat angles P-C4'-P energy: -16.696
tors. eta vs tors. theta energy: -29.483
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: 2, replica: 2
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -323.542748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.542748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.542748 (E_RNA)
where:
Base-Base interactions energy: -221.559
where: short stacking energy: -99.476
Base-Backbone interact. energy: -0.483
local terms energy: -101.500720
where:
bonds (distance) C4'-P energy: -19.197
bonds (distance) P-C4' energy: -17.874
flat angles C4'-P-C4' energy: -19.326
flat angles P-C4'-P energy: -13.668
tors. eta vs tors. theta energy: -31.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -296.376094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.376094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.376094 (E_RNA)
where:
Base-Base interactions energy: -196.540
where: short stacking energy: -93.348
Base-Backbone interact. energy: -0.259
local terms energy: -99.577702
where:
bonds (distance) C4'-P energy: -15.926
bonds (distance) P-C4' energy: -23.843
flat angles C4'-P-C4' energy: -23.583
flat angles P-C4'-P energy: -14.097
tors. eta vs tors. theta energy: -22.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -294.009428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.009428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.009428 (E_RNA)
where:
Base-Base interactions energy: -200.258
where: short stacking energy: -77.689
Base-Backbone interact. energy: -0.124
local terms energy: -93.627353
where:
bonds (distance) C4'-P energy: -22.998
bonds (distance) P-C4' energy: -20.933
flat angles C4'-P-C4' energy: -18.796
flat angles P-C4'-P energy: -10.143
tors. eta vs tors. theta energy: -20.758
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: 10
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -282.716700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.716700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.716700 (E_RNA)
where:
Base-Base interactions energy: -192.189
where: short stacking energy: -81.516
Base-Backbone interact. energy: -0.212
local terms energy: -90.315520
where:
bonds (distance) C4'-P energy: -18.514
bonds (distance) P-C4' energy: -21.299
flat angles C4'-P-C4' energy: -19.741
flat angles P-C4'-P energy: -10.922
tors. eta vs tors. theta energy: -19.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -248.287829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.287829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.287829 (E_RNA)
where:
Base-Base interactions energy: -176.948
where: short stacking energy: -62.553
Base-Backbone interact. energy: -0.865
local terms energy: -70.474171
where:
bonds (distance) C4'-P energy: -11.029
bonds (distance) P-C4' energy: -16.875
flat angles C4'-P-C4' energy: -19.510
flat angles P-C4'-P energy: -9.342
tors. eta vs tors. theta energy: -13.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -262.409938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.409938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.409938 (E_RNA)
where:
Base-Base interactions energy: -173.655
where: short stacking energy: -69.314
Base-Backbone interact. energy: -0.649
local terms energy: -88.105284
where:
bonds (distance) C4'-P energy: -20.794
bonds (distance) P-C4' energy: -21.076
flat angles C4'-P-C4' energy: -16.437
flat angles P-C4'-P energy: -13.803
tors. eta vs tors. theta energy: -15.995
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: 4
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -169.598895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.598895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.598895 (E_RNA)
where:
Base-Base interactions energy: -94.561
where: short stacking energy: -47.935
Base-Backbone interact. energy: -0.074
local terms energy: -74.964280
where:
bonds (distance) C4'-P energy: -16.191
bonds (distance) P-C4' energy: -15.784
flat angles C4'-P-C4' energy: -17.474
flat angles P-C4'-P energy: -10.752
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: 9, replica: 5
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -103.030145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.030145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.030145 (E_RNA)
where:
Base-Base interactions energy: -39.495
where: short stacking energy: -32.691
Base-Backbone interact. energy: -0.355
local terms energy: -63.180626
where:
bonds (distance) C4'-P energy: -19.321
bonds (distance) P-C4' energy: -19.832
flat angles C4'-P-C4' energy: -13.091
flat angles P-C4'-P energy: -13.316
tors. eta vs tors. theta energy: 2.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -109.532054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.532054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.532054 (E_RNA)
where:
Base-Base interactions energy: -42.987
where: short stacking energy: -39.377
Base-Backbone interact. energy: 0.640
local terms energy: -67.185735
where:
bonds (distance) C4'-P energy: -15.941
bonds (distance) P-C4' energy: -19.692
flat angles C4'-P-C4' energy: -18.898
flat angles P-C4'-P energy: -10.203
tors. eta vs tors. theta energy: -2.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -331.631423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.631423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.631423 (E_RNA)
where:
Base-Base interactions energy: -221.385
where: short stacking energy: -96.317
Base-Backbone interact. energy: -0.045
local terms energy: -110.201256
where:
bonds (distance) C4'-P energy: -22.335
bonds (distance) P-C4' energy: -21.188
flat angles C4'-P-C4' energy: -21.808
flat angles P-C4'-P energy: -13.660
tors. eta vs tors. theta energy: -31.210
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: 2
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -336.767084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.767084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.767084 (E_RNA)
where:
Base-Base interactions energy: -235.018
where: short stacking energy: -96.534
Base-Backbone interact. energy: 0.024
local terms energy: -101.773756
where:
bonds (distance) C4'-P energy: -20.203
bonds (distance) P-C4' energy: -20.168
flat angles C4'-P-C4' energy: -20.345
flat angles P-C4'-P energy: -12.690
tors. eta vs tors. theta energy: -28.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -284.053134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.053134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.053134 (E_RNA)
where:
Base-Base interactions energy: -193.336
where: short stacking energy: -82.014
Base-Backbone interact. energy: -0.155
local terms energy: -90.562800
where:
bonds (distance) C4'-P energy: -17.822
bonds (distance) P-C4' energy: -21.486
flat angles C4'-P-C4' energy: -17.056
flat angles P-C4'-P energy: -13.680
tors. eta vs tors. theta energy: -20.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -273.206582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.206582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.206582 (E_RNA)
where:
Base-Base interactions energy: -183.780
where: short stacking energy: -64.307
Base-Backbone interact. energy: -0.490
local terms energy: -88.936017
where:
bonds (distance) C4'-P energy: -17.894
bonds (distance) P-C4' energy: -21.507
flat angles C4'-P-C4' energy: -18.257
flat angles P-C4'-P energy: -13.320
tors. eta vs tors. theta energy: -17.958
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: 5, replica: 3
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -303.294224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.294224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.294224 (E_RNA)
where:
Base-Base interactions energy: -214.274
where: short stacking energy: -80.276
Base-Backbone interact. energy: -0.382
local terms energy: -88.638543
where:
bonds (distance) C4'-P energy: -19.420
bonds (distance) P-C4' energy: -17.528
flat angles C4'-P-C4' energy: -21.658
flat angles P-C4'-P energy: -10.443
tors. eta vs tors. theta energy: -19.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -269.368809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.368809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.368809 (E_RNA)
where:
Base-Base interactions energy: -182.290
where: short stacking energy: -76.475
Base-Backbone interact. energy: 0.887
local terms energy: -87.966106
where:
bonds (distance) C4'-P energy: -14.225
bonds (distance) P-C4' energy: -18.771
flat angles C4'-P-C4' energy: -17.935
flat angles P-C4'-P energy: -16.420
tors. eta vs tors. theta energy: -20.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -257.931862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.931862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.931862 (E_RNA)
where:
Base-Base interactions energy: -182.357
where: short stacking energy: -74.545
Base-Backbone interact. energy: -0.893
local terms energy: -74.681575
where:
bonds (distance) C4'-P energy: -18.630
bonds (distance) P-C4' energy: -17.353
flat angles C4'-P-C4' energy: -11.026
flat angles P-C4'-P energy: -11.625
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: 8, replica: 4
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -155.077076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.077076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.077076 (E_RNA)
where:
Base-Base interactions energy: -86.394
where: short stacking energy: -40.330
Base-Backbone interact. energy: -0.058
local terms energy: -68.625384
where:
bonds (distance) C4'-P energy: -15.836
bonds (distance) P-C4' energy: -21.948
flat angles C4'-P-C4' energy: -14.956
flat angles P-C4'-P energy: -11.769
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: 9, replica: 5
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -107.324314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.324314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.324314 (E_RNA)
where:
Base-Base interactions energy: -38.359
where: short stacking energy: -36.403
Base-Backbone interact. energy: 0.964
local terms energy: -69.929416
where:
bonds (distance) C4'-P energy: -20.505
bonds (distance) P-C4' energy: -17.392
flat angles C4'-P-C4' energy: -15.246
flat angles P-C4'-P energy: -9.920
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: 10, replica: 9
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -106.831387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.831387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.831387 (E_RNA)
where:
Base-Base interactions energy: -44.665
where: short stacking energy: -41.758
Base-Backbone interact. energy: -0.123
local terms energy: -62.043953
where:
bonds (distance) C4'-P energy: -18.467
bonds (distance) P-C4' energy: -18.129
flat angles C4'-P-C4' energy: -8.497
flat angles P-C4'-P energy: -9.773
tors. eta vs tors. theta energy: -7.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -329.239923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.239923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.239923 (E_RNA)
where:
Base-Base interactions energy: -226.472
where: short stacking energy: -100.724
Base-Backbone interact. energy: -0.086
local terms energy: -102.681791
where:
bonds (distance) C4'-P energy: -18.546
bonds (distance) P-C4' energy: -21.512
flat angles C4'-P-C4' energy: -19.670
flat angles P-C4'-P energy: -16.678
tors. eta vs tors. theta energy: -26.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -333.664443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.664443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.664443 (E_RNA)
where:
Base-Base interactions energy: -224.961
where: short stacking energy: -94.245
Base-Backbone interact. energy: -0.772
local terms energy: -107.931570
where:
bonds (distance) C4'-P energy: -18.962
bonds (distance) P-C4' energy: -22.631
flat angles C4'-P-C4' energy: -21.817
flat angles P-C4'-P energy: -16.678
tors. eta vs tors. theta energy: -27.844
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: 6
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -282.003767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.003767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.003767 (E_RNA)
where:
Base-Base interactions energy: -192.001
where: short stacking energy: -82.590
Base-Backbone interact. energy: -0.060
local terms energy: -89.942736
where:
bonds (distance) C4'-P energy: -18.310
bonds (distance) P-C4' energy: -21.085
flat angles C4'-P-C4' energy: -20.117
flat angles P-C4'-P energy: -13.263
tors. eta vs tors. theta energy: -17.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -298.152131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.152131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.152131 (E_RNA)
where:
Base-Base interactions energy: -206.067
where: short stacking energy: -84.329
Base-Backbone interact. energy: 0.955
local terms energy: -93.040108
where:
bonds (distance) C4'-P energy: -20.778
bonds (distance) P-C4' energy: -24.787
flat angles C4'-P-C4' energy: -16.415
flat angles P-C4'-P energy: -9.685
tors. eta vs tors. theta energy: -21.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -285.739029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.739029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.739029 (E_RNA)
where:
Base-Base interactions energy: -202.649
where: short stacking energy: -74.564
Base-Backbone interact. energy: -0.892
local terms energy: -82.197986
where:
bonds (distance) C4'-P energy: -11.625
bonds (distance) P-C4' energy: -21.958
flat angles C4'-P-C4' energy: -16.996
flat angles P-C4'-P energy: -10.457
tors. eta vs tors. theta energy: -21.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -297.559932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.559932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.559932 (E_RNA)
where:
Base-Base interactions energy: -202.196
where: short stacking energy: -80.128
Base-Backbone interact. energy: 0.939
local terms energy: -96.302753
where:
bonds (distance) C4'-P energy: -15.103
bonds (distance) P-C4' energy: -19.969
flat angles C4'-P-C4' energy: -23.273
flat angles P-C4'-P energy: -14.130
tors. eta vs tors. theta energy: -23.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -232.098138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.098138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.098138 (E_RNA)
where:
Base-Base interactions energy: -162.810
where: short stacking energy: -51.100
Base-Backbone interact. energy: -0.695
local terms energy: -68.593725
where:
bonds (distance) C4'-P energy: -15.546
bonds (distance) P-C4' energy: -15.528
flat angles C4'-P-C4' energy: -16.701
flat angles P-C4'-P energy: -14.947
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: 8, replica: 4
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -124.050570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.050570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.050570 (E_RNA)
where:
Base-Base interactions energy: -54.431
where: short stacking energy: -44.755
Base-Backbone interact. energy: -0.079
local terms energy: -69.540763
where:
bonds (distance) C4'-P energy: -17.201
bonds (distance) P-C4' energy: -14.991
flat angles C4'-P-C4' energy: -23.008
flat angles P-C4'-P energy: -9.198
tors. eta vs tors. theta energy: -5.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -102.426279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.426279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.426279 (E_RNA)
where:
Base-Base interactions energy: -37.622
where: short stacking energy: -16.144
Base-Backbone interact. energy: -0.122
local terms energy: -64.682830
where:
bonds (distance) C4'-P energy: -20.823
bonds (distance) P-C4' energy: -19.563
flat angles C4'-P-C4' energy: -14.736
flat angles P-C4'-P energy: -16.790
tors. eta vs tors. theta energy: 7.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -102.615452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.615452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.615452 (E_RNA)
where:
Base-Base interactions energy: -38.281
where: short stacking energy: -33.162
Base-Backbone interact. energy: 0.863
local terms energy: -65.196978
where:
bonds (distance) C4'-P energy: -17.413
bonds (distance) P-C4' energy: -21.725
flat angles C4'-P-C4' energy: -14.493
flat angles P-C4'-P energy: -9.011
tors. eta vs tors. theta energy: -2.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -331.472085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.472085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.472085 (E_RNA)
where:
Base-Base interactions energy: -226.438
where: short stacking energy: -97.672
Base-Backbone interact. energy: -0.801
local terms energy: -104.232739
where:
bonds (distance) C4'-P energy: -22.281
bonds (distance) P-C4' energy: -19.946
flat angles C4'-P-C4' energy: -21.249
flat angles P-C4'-P energy: -13.278
tors. eta vs tors. theta energy: -27.479
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: 7
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -311.870291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.870291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.870291 (E_RNA)
where:
Base-Base interactions energy: -212.905
where: short stacking energy: -90.517
Base-Backbone interact. energy: -1.022
local terms energy: -97.943003
where:
bonds (distance) C4'-P energy: -18.852
bonds (distance) P-C4' energy: -19.310
flat angles C4'-P-C4' energy: -22.309
flat angles P-C4'-P energy: -10.466
tors. eta vs tors. theta energy: -27.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -288.148267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.148267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.148267 (E_RNA)
where:
Base-Base interactions energy: -188.698
where: short stacking energy: -77.794
Base-Backbone interact. energy: -0.451
local terms energy: -98.999673
where:
bonds (distance) C4'-P energy: -21.118
bonds (distance) P-C4' energy: -22.862
flat angles C4'-P-C4' energy: -18.034
flat angles P-C4'-P energy: -14.861
tors. eta vs tors. theta energy: -22.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -298.565134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.565134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.565134 (E_RNA)
where:
Base-Base interactions energy: -204.167
where: short stacking energy: -80.732
Base-Backbone interact. energy: -0.242
local terms energy: -94.156207
where:
bonds (distance) C4'-P energy: -14.656
bonds (distance) P-C4' energy: -24.881
flat angles C4'-P-C4' energy: -21.806
flat angles P-C4'-P energy: -11.198
tors. eta vs tors. theta energy: -21.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -268.413631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.413631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.413631 (E_RNA)
where:
Base-Base interactions energy: -174.058
where: short stacking energy: -65.644
Base-Backbone interact. energy: -0.187
local terms energy: -94.168277
where:
bonds (distance) C4'-P energy: -23.391
bonds (distance) P-C4' energy: -20.838
flat angles C4'-P-C4' energy: -16.781
flat angles P-C4'-P energy: -17.468
tors. eta vs tors. theta energy: -15.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -290.824899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.824899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.824899 (E_RNA)
where:
Base-Base interactions energy: -204.982
where: short stacking energy: -84.352
Base-Backbone interact. energy: -0.778
local terms energy: -85.064703
where:
bonds (distance) C4'-P energy: -13.353
bonds (distance) P-C4' energy: -20.474
flat angles C4'-P-C4' energy: -18.853
flat angles P-C4'-P energy: -9.316
tors. eta vs tors. theta energy: -23.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -260.115934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.115934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.115934 (E_RNA)
where:
Base-Base interactions energy: -179.147
where: short stacking energy: -66.149
Base-Backbone interact. energy: -0.829
local terms energy: -80.140384
where:
bonds (distance) C4'-P energy: -17.550
bonds (distance) P-C4' energy: -15.322
flat angles C4'-P-C4' energy: -21.397
flat angles P-C4'-P energy: -10.752
tors. eta vs tors. theta energy: -15.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -112.628221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.628221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.628221 (E_RNA)
where:
Base-Base interactions energy: -46.737
where: short stacking energy: -40.664
Base-Backbone interact. energy: 0.501
local terms energy: -66.392476
where:
bonds (distance) C4'-P energy: -16.966
bonds (distance) P-C4' energy: -17.783
flat angles C4'-P-C4' energy: -16.919
flat angles P-C4'-P energy: -8.848
tors. eta vs tors. theta energy: -5.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -117.431411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.431411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.431411 (E_RNA)
where:
Base-Base interactions energy: -46.430
where: short stacking energy: -39.789
Base-Backbone interact. energy: -0.344
local terms energy: -70.657566
where:
bonds (distance) C4'-P energy: -22.153
bonds (distance) P-C4' energy: -15.438
flat angles C4'-P-C4' energy: -15.585
flat angles P-C4'-P energy: -12.324
tors. eta vs tors. theta energy: -5.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -104.961580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.961580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.961580 (E_RNA)
where:
Base-Base interactions energy: -44.959
where: short stacking energy: -24.836
Base-Backbone interact. energy: -0.419
local terms energy: -59.583668
where:
bonds (distance) C4'-P energy: -19.757
bonds (distance) P-C4' energy: -14.397
flat angles C4'-P-C4' energy: -15.817
flat angles P-C4'-P energy: -13.361
tors. eta vs tors. theta energy: 3.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -322.640346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.640346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.640346 (E_RNA)
where:
Base-Base interactions energy: -222.366
where: short stacking energy: -91.057
Base-Backbone interact. energy: -0.153
local terms energy: -100.120926
where:
bonds (distance) C4'-P energy: -20.491
bonds (distance) P-C4' energy: -19.744
flat angles C4'-P-C4' energy: -19.245
flat angles P-C4'-P energy: -15.748
tors. eta vs tors. theta energy: -24.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -322.191662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.191662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.191662 (E_RNA)
where:
Base-Base interactions energy: -214.864
where: short stacking energy: -93.261
Base-Backbone interact. energy: -0.933
local terms energy: -106.394695
where:
bonds (distance) C4'-P energy: -21.002
bonds (distance) P-C4' energy: -22.297
flat angles C4'-P-C4' energy: -20.660
flat angles P-C4'-P energy: -14.927
tors. eta vs tors. theta energy: -27.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -292.850535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.850535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.850535 (E_RNA)
where:
Base-Base interactions energy: -204.497
where: short stacking energy: -78.805
Base-Backbone interact. energy: -0.143
local terms energy: -88.210527
where:
bonds (distance) C4'-P energy: -21.446
bonds (distance) P-C4' energy: -18.211
flat angles C4'-P-C4' energy: -22.272
flat angles P-C4'-P energy: -6.743
tors. eta vs tors. theta energy: -19.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -290.535017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.535017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.535017 (E_RNA)
where:
Base-Base interactions energy: -191.842
where: short stacking energy: -88.324
Base-Backbone interact. energy: 0.003
local terms energy: -98.695678
where:
bonds (distance) C4'-P energy: -20.297
bonds (distance) P-C4' energy: -21.117
flat angles C4'-P-C4' energy: -18.913
flat angles P-C4'-P energy: -12.483
tors. eta vs tors. theta energy: -25.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -295.395921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.395921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.395921 (E_RNA)
where:
Base-Base interactions energy: -205.172
where: short stacking energy: -79.407
Base-Backbone interact. energy: -0.429
local terms energy: -89.794689
where:
bonds (distance) C4'-P energy: -12.419
bonds (distance) P-C4' energy: -22.221
flat angles C4'-P-C4' energy: -18.713
flat angles P-C4'-P energy: -16.485
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: 6, replica: 1
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -262.551507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.551507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.551507 (E_RNA)
where:
Base-Base interactions energy: -177.027
where: short stacking energy: -72.819
Base-Backbone interact. energy: 0.999
local terms energy: -86.524018
where:
bonds (distance) C4'-P energy: -18.613
bonds (distance) P-C4' energy: -19.732
flat angles C4'-P-C4' energy: -16.516
flat angles P-C4'-P energy: -13.584
tors. eta vs tors. theta energy: -18.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -242.103312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.103312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.103312 (E_RNA)
where:
Base-Base interactions energy: -162.932
where: short stacking energy: -49.420
Base-Backbone interact. energy: -0.397
local terms energy: -78.775037
where:
bonds (distance) C4'-P energy: -16.198
bonds (distance) P-C4' energy: -18.179
flat angles C4'-P-C4' energy: -18.422
flat angles P-C4'-P energy: -15.084
tors. eta vs tors. theta energy: -10.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -110.706135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.706135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.706135 (E_RNA)
where:
Base-Base interactions energy: -47.806
where: short stacking energy: -32.905
Base-Backbone interact. energy: -0.300
local terms energy: -62.599793
where:
bonds (distance) C4'-P energy: -16.394
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -16.074
flat angles P-C4'-P energy: -9.198
tors. eta vs tors. theta energy: -6.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -118.575902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.575902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.575902 (E_RNA)
where:
Base-Base interactions energy: -51.240
where: short stacking energy: -37.015
Base-Backbone interact. energy: 0.562
local terms energy: -67.897497
where:
bonds (distance) C4'-P energy: -18.889
bonds (distance) P-C4' energy: -18.242
flat angles C4'-P-C4' energy: -14.441
flat angles P-C4'-P energy: -13.224
tors. eta vs tors. theta energy: -3.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -96.642504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.642504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.642504 (E_RNA)
where:
Base-Base interactions energy: -36.174
where: short stacking energy: -27.226
Base-Backbone interact. energy: -0.347
local terms energy: -60.121497
where:
bonds (distance) C4'-P energy: -18.158
bonds (distance) P-C4' energy: -13.809
flat angles C4'-P-C4' energy: -17.190
flat angles P-C4'-P energy: -9.011
tors. eta vs tors. theta energy: -1.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -337.378434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.378434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.378434 (E_RNA)
where:
Base-Base interactions energy: -227.627
where: short stacking energy: -95.800
Base-Backbone interact. energy: -0.595
local terms energy: -109.156388
where:
bonds (distance) C4'-P energy: -21.172
bonds (distance) P-C4' energy: -22.309
flat angles C4'-P-C4' energy: -21.907
flat angles P-C4'-P energy: -12.735
tors. eta vs tors. theta energy: -31.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -300.037223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.037223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.037223 (E_RNA)
where:
Base-Base interactions energy: -203.481
where: short stacking energy: -91.054
Base-Backbone interact. energy: -0.005
local terms energy: -96.551381
where:
bonds (distance) C4'-P energy: -20.930
bonds (distance) P-C4' energy: -14.369
flat angles C4'-P-C4' energy: -22.293
flat angles P-C4'-P energy: -11.378
tors. eta vs tors. theta energy: -27.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -319.603802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.603802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.603802 (E_RNA)
where:
Base-Base interactions energy: -223.786
where: short stacking energy: -97.994
Base-Backbone interact. energy: -0.183
local terms energy: -95.634243
where:
bonds (distance) C4'-P energy: -19.046
bonds (distance) P-C4' energy: -17.414
flat angles C4'-P-C4' energy: -20.874
flat angles P-C4'-P energy: -12.175
tors. eta vs tors. theta energy: -26.125
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: 333
Temperature: 1.050000
Total energy: -292.936675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.936675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.936675 (E_RNA)
where:
Base-Base interactions energy: -196.006
where: short stacking energy: -79.523
Base-Backbone interact. energy: -0.201
local terms energy: -96.728885
where:
bonds (distance) C4'-P energy: -16.469
bonds (distance) P-C4' energy: -21.087
flat angles C4'-P-C4' energy: -24.511
flat angles P-C4'-P energy: -12.370
tors. eta vs tors. theta energy: -22.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -289.048193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.048193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.048193 (E_RNA)
where:
Base-Base interactions energy: -195.428
where: short stacking energy: -90.532
Base-Backbone interact. energy: -0.561
local terms energy: -93.058591
where:
bonds (distance) C4'-P energy: -21.118
bonds (distance) P-C4' energy: -17.309
flat angles C4'-P-C4' energy: -20.198
flat angles P-C4'-P energy: -6.906
tors. eta vs tors. theta energy: -27.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -264.086836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.086836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.086836 (E_RNA)
where:
Base-Base interactions energy: -176.826
where: short stacking energy: -58.084
Base-Backbone interact. energy: -0.416
local terms energy: -86.845416
where:
bonds (distance) C4'-P energy: -15.742
bonds (distance) P-C4' energy: -20.531
flat angles C4'-P-C4' energy: -23.501
flat angles P-C4'-P energy: -10.845
tors. eta vs tors. theta energy: -16.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -267.441555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.441555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.441555 (E_RNA)
where:
Base-Base interactions energy: -183.159
where: short stacking energy: -74.612
Base-Backbone interact. energy: -0.493
local terms energy: -83.789210
where:
bonds (distance) C4'-P energy: -17.366
bonds (distance) P-C4' energy: -16.852
flat angles C4'-P-C4' energy: -18.468
flat angles P-C4'-P energy: -9.049
tors. eta vs tors. theta energy: -22.055
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: 5
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -134.449405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.449405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.449405 (E_RNA)
where:
Base-Base interactions energy: -59.878
where: short stacking energy: -42.558
Base-Backbone interact. energy: -0.131
local terms energy: -74.439810
where:
bonds (distance) C4'-P energy: -18.373
bonds (distance) P-C4' energy: -20.348
flat angles C4'-P-C4' energy: -22.099
flat angles P-C4'-P energy: -10.331
tors. eta vs tors. theta energy: -3.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -101.627486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.627486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.627486 (E_RNA)
where:
Base-Base interactions energy: -42.073
where: short stacking energy: -38.064
Base-Backbone interact. energy: -0.622
local terms energy: -58.932251
where:
bonds (distance) C4'-P energy: -13.471
bonds (distance) P-C4' energy: -18.274
flat angles C4'-P-C4' energy: -19.113
flat angles P-C4'-P energy: -6.607
tors. eta vs tors. theta energy: -1.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -94.540527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.540527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.540527 (E_RNA)
where:
Base-Base interactions energy: -28.246
where: short stacking energy: -28.246
Base-Backbone interact. energy: 0.765
local terms energy: -67.060068
where:
bonds (distance) C4'-P energy: -17.213
bonds (distance) P-C4' energy: -21.746
flat angles C4'-P-C4' energy: -19.351
flat angles P-C4'-P energy: -8.160
tors. eta vs tors. theta energy: -0.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -327.330842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.330842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.330842 (E_RNA)
where:
Base-Base interactions energy: -221.460
where: short stacking energy: -92.351
Base-Backbone interact. energy: -0.411
local terms energy: -105.459931
where:
bonds (distance) C4'-P energy: -23.238
bonds (distance) P-C4' energy: -17.562
flat angles C4'-P-C4' energy: -20.728
flat angles P-C4'-P energy: -14.453
tors. eta vs tors. theta energy: -29.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -292.560256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.560256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.560256 (E_RNA)
where:
Base-Base interactions energy: -203.775
where: short stacking energy: -94.568
Base-Backbone interact. energy: -0.982
local terms energy: -87.803672
where:
bonds (distance) C4'-P energy: -16.351
bonds (distance) P-C4' energy: -19.452
flat angles C4'-P-C4' energy: -17.872
flat angles P-C4'-P energy: -10.020
tors. eta vs tors. theta energy: -24.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -294.366459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.366459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.366459 (E_RNA)
where:
Base-Base interactions energy: -201.483
where: short stacking energy: -73.546
Base-Backbone interact. energy: -0.685
local terms energy: -92.199146
where:
bonds (distance) C4'-P energy: -19.159
bonds (distance) P-C4' energy: -19.788
flat angles C4'-P-C4' energy: -22.276
flat angles P-C4'-P energy: -15.573
tors. eta vs tors. theta energy: -15.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -313.991793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.991793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.991793 (E_RNA)
where:
Base-Base interactions energy: -212.962
where: short stacking energy: -95.204
Base-Backbone interact. energy: -0.215
local terms energy: -100.814442
where:
bonds (distance) C4'-P energy: -18.761
bonds (distance) P-C4' energy: -16.351
flat angles C4'-P-C4' energy: -21.949
flat angles P-C4'-P energy: -16.469
tors. eta vs tors. theta energy: -27.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -287.931614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.931614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.931614 (E_RNA)
where:
Base-Base interactions energy: -183.633
where: short stacking energy: -76.271
Base-Backbone interact. energy: -0.103
local terms energy: -104.195683
where:
bonds (distance) C4'-P energy: -16.009
bonds (distance) P-C4' energy: -20.738
flat angles C4'-P-C4' energy: -24.152
flat angles P-C4'-P energy: -17.991
tors. eta vs tors. theta energy: -25.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -247.114546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.114546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.114546 (E_RNA)
where:
Base-Base interactions energy: -167.565
where: short stacking energy: -66.654
Base-Backbone interact. energy: -0.437
local terms energy: -79.112783
where:
bonds (distance) C4'-P energy: -15.219
bonds (distance) P-C4' energy: -20.541
flat angles C4'-P-C4' energy: -22.455
flat angles P-C4'-P energy: -8.193
tors. eta vs tors. theta energy: -12.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -262.351013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.351013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.351013 (E_RNA)
where:
Base-Base interactions energy: -182.512
where: short stacking energy: -79.237
Base-Backbone interact. energy: -0.631
local terms energy: -79.207974
where:
bonds (distance) C4'-P energy: -11.414
bonds (distance) P-C4' energy: -20.582
flat angles C4'-P-C4' energy: -12.627
flat angles P-C4'-P energy: -14.591
tors. eta vs tors. theta energy: -19.995
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: 5
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -120.694930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.694930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.694930 (E_RNA)
where:
Base-Base interactions energy: -55.164
where: short stacking energy: -36.133
Base-Backbone interact. energy: -0.310
local terms energy: -65.221011
where:
bonds (distance) C4'-P energy: -12.315
bonds (distance) P-C4' energy: -21.520
flat angles C4'-P-C4' energy: -19.847
flat angles P-C4'-P energy: -11.447
tors. eta vs tors. theta energy: -0.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -112.308668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.308668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.308668 (E_RNA)
where:
Base-Base interactions energy: -36.327
where: short stacking energy: -28.463
Base-Backbone interact. energy: -0.640
local terms energy: -75.342036
where:
bonds (distance) C4'-P energy: -19.988
bonds (distance) P-C4' energy: -18.736
flat angles C4'-P-C4' energy: -22.639
flat angles P-C4'-P energy: -10.112
tors. eta vs tors. theta energy: -3.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -109.829413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.829413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.829413 (E_RNA)
where:
Base-Base interactions energy: -46.793
where: short stacking energy: -37.122
Base-Backbone interact. energy: -0.186
local terms energy: -62.850939
where:
bonds (distance) C4'-P energy: -14.708
bonds (distance) P-C4' energy: -16.613
flat angles C4'-P-C4' energy: -16.487
flat angles P-C4'-P energy: -12.796
tors. eta vs tors. theta energy: -2.247
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: 1, replica: 2
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -328.445310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.445310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.445310 (E_RNA)
where:
Base-Base interactions energy: -223.623
where: short stacking energy: -100.261
Base-Backbone interact. energy: -0.004
local terms energy: -104.817694
where:
bonds (distance) C4'-P energy: -22.484
bonds (distance) P-C4' energy: -19.090
flat angles C4'-P-C4' energy: -22.811
flat angles P-C4'-P energy: -14.655
tors. eta vs tors. theta energy: -25.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -301.376005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.376005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.376005 (E_RNA)
where:
Base-Base interactions energy: -195.440
where: short stacking energy: -87.402
Base-Backbone interact. energy: -0.902
local terms energy: -105.033588
where:
bonds (distance) C4'-P energy: -23.345
bonds (distance) P-C4' energy: -20.266
flat angles C4'-P-C4' energy: -21.876
flat angles P-C4'-P energy: -16.223
tors. eta vs tors. theta energy: -23.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -286.084442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.084442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.084442 (E_RNA)
where:
Base-Base interactions energy: -187.434
where: short stacking energy: -72.665
Base-Backbone interact. energy: -0.146
local terms energy: -98.504666
where:
bonds (distance) C4'-P energy: -20.506
bonds (distance) P-C4' energy: -21.542
flat angles C4'-P-C4' energy: -21.988
flat angles P-C4'-P energy: -12.505
tors. eta vs tors. theta energy: -21.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -270.912394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.912394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.912394 (E_RNA)
where:
Base-Base interactions energy: -178.424
where: short stacking energy: -78.687
Base-Backbone interact. energy: -0.384
local terms energy: -92.104545
where:
bonds (distance) C4'-P energy: -21.706
bonds (distance) P-C4' energy: -19.381
flat angles C4'-P-C4' energy: -19.002
flat angles P-C4'-P energy: -12.731
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: 7
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -306.586392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.586392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.586392 (E_RNA)
where:
Base-Base interactions energy: -212.542
where: short stacking energy: -92.107
Base-Backbone interact. energy: -0.068
local terms energy: -93.976099
where:
bonds (distance) C4'-P energy: -20.858
bonds (distance) P-C4' energy: -13.678
flat angles C4'-P-C4' energy: -20.730
flat angles P-C4'-P energy: -12.145
tors. eta vs tors. theta energy: -26.565
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: 1
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -249.340697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.340697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.340697 (E_RNA)
where:
Base-Base interactions energy: -177.085
where: short stacking energy: -67.290
Base-Backbone interact. energy: 0.854
local terms energy: -73.109794
where:
bonds (distance) C4'-P energy: -19.505
bonds (distance) P-C4' energy: -20.386
flat angles C4'-P-C4' energy: -18.084
flat angles P-C4'-P energy: -3.592
tors. eta vs tors. theta energy: -11.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -237.768159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.768159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.768159 (E_RNA)
where:
Base-Base interactions energy: -164.309
where: short stacking energy: -58.228
Base-Backbone interact. energy: -0.444
local terms energy: -73.014920
where:
bonds (distance) C4'-P energy: -12.267
bonds (distance) P-C4' energy: -20.271
flat angles C4'-P-C4' energy: -18.370
flat angles P-C4'-P energy: -10.726
tors. eta vs tors. theta energy: -11.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -160.313261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.313261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.313261 (E_RNA)
where:
Base-Base interactions energy: -91.010
where: short stacking energy: -48.406
Base-Backbone interact. energy: -0.314
local terms energy: -68.989921
where:
bonds (distance) C4'-P energy: -18.753
bonds (distance) P-C4' energy: -15.552
flat angles C4'-P-C4' energy: -18.723
flat angles P-C4'-P energy: -4.103
tors. eta vs tors. theta energy: -11.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -103.407426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.407426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.407426 (E_RNA)
where:
Base-Base interactions energy: -43.358
where: short stacking energy: -43.358
Base-Backbone interact. energy: -0.285
local terms energy: -59.763999
where:
bonds (distance) C4'-P energy: -15.398
bonds (distance) P-C4' energy: -14.508
flat angles C4'-P-C4' energy: -16.140
flat angles P-C4'-P energy: -12.965
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: 4
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -120.621671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.621671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.621671 (E_RNA)
where:
Base-Base interactions energy: -68.211
where: short stacking energy: -35.187
Base-Backbone interact. energy: -0.168
local terms energy: -52.242425
where:
bonds (distance) C4'-P energy: -11.011
bonds (distance) P-C4' energy: -11.359
flat angles C4'-P-C4' energy: -12.105
flat angles P-C4'-P energy: -9.400
tors. eta vs tors. theta energy: -8.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -336.438193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.438193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.438193 (E_RNA)
where:
Base-Base interactions energy: -227.703
where: short stacking energy: -104.835
Base-Backbone interact. energy: -0.176
local terms energy: -108.558853
where:
bonds (distance) C4'-P energy: -21.263
bonds (distance) P-C4' energy: -19.885
flat angles C4'-P-C4' energy: -24.499
flat angles P-C4'-P energy: -16.491
tors. eta vs tors. theta energy: -26.421
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: 3
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -313.082513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.082513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.082513 (E_RNA)
where:
Base-Base interactions energy: -213.767
where: short stacking energy: -85.969
Base-Backbone interact. energy: -0.183
local terms energy: -99.132860
where:
bonds (distance) C4'-P energy: -20.224
bonds (distance) P-C4' energy: -23.119
flat angles C4'-P-C4' energy: -17.944
flat angles P-C4'-P energy: -11.365
tors. eta vs tors. theta energy: -26.482
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: 10
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -304.699948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.699948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.699948 (E_RNA)
where:
Base-Base interactions energy: -221.603
where: short stacking energy: -88.872
Base-Backbone interact. energy: -0.067
local terms energy: -83.030561
where:
bonds (distance) C4'-P energy: -16.567
bonds (distance) P-C4' energy: -15.976
flat angles C4'-P-C4' energy: -16.859
flat angles P-C4'-P energy: -11.413
tors. eta vs tors. theta energy: -22.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -274.350601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.350601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.350601 (E_RNA)
where:
Base-Base interactions energy: -188.510
where: short stacking energy: -74.378
Base-Backbone interact. energy: -0.108
local terms energy: -85.732589
where:
bonds (distance) C4'-P energy: -15.139
bonds (distance) P-C4' energy: -16.294
flat angles C4'-P-C4' energy: -16.465
flat angles P-C4'-P energy: -14.431
tors. eta vs tors. theta energy: -23.404
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: 7
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -303.599107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.599107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.599107 (E_RNA)
where:
Base-Base interactions energy: -217.384
where: short stacking energy: -89.912
Base-Backbone interact. energy: 0.306
local terms energy: -86.520845
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -17.813
flat angles C4'-P-C4' energy: -18.475
flat angles P-C4'-P energy: -12.762
tors. eta vs tors. theta energy: -20.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -274.251550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.251550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.251550 (E_RNA)
where:
Base-Base interactions energy: -180.671
where: short stacking energy: -72.490
Base-Backbone interact. energy: -0.014
local terms energy: -93.565964
where:
bonds (distance) C4'-P energy: -16.737
bonds (distance) P-C4' energy: -22.822
flat angles C4'-P-C4' energy: -19.802
flat angles P-C4'-P energy: -12.679
tors. eta vs tors. theta energy: -21.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -213.009686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.009686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.009686 (E_RNA)
where:
Base-Base interactions energy: -134.693
where: short stacking energy: -63.230
Base-Backbone interact. energy: -0.204
local terms energy: -78.112295
where:
bonds (distance) C4'-P energy: -22.492
bonds (distance) P-C4' energy: -16.300
flat angles C4'-P-C4' energy: -15.453
flat angles P-C4'-P energy: -7.621
tors. eta vs tors. theta energy: -16.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -140.524411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.524411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.524411 (E_RNA)
where:
Base-Base interactions energy: -71.042
where: short stacking energy: -42.970
Base-Backbone interact. energy: -0.144
local terms energy: -69.338327
where:
bonds (distance) C4'-P energy: -20.656
bonds (distance) P-C4' energy: -17.762
flat angles C4'-P-C4' energy: -15.002
flat angles P-C4'-P energy: -5.899
tors. eta vs tors. theta energy: -10.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -120.219637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.219637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.219637 (E_RNA)
where:
Base-Base interactions energy: -46.621
where: short stacking energy: -43.135
Base-Backbone interact. energy: -0.149
local terms energy: -73.449497
where:
bonds (distance) C4'-P energy: -21.322
bonds (distance) P-C4' energy: -14.886
flat angles C4'-P-C4' energy: -15.006
flat angles P-C4'-P energy: -10.314
tors. eta vs tors. theta energy: -11.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -170.229137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.229137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.229137 (E_RNA)
where:
Base-Base interactions energy: -99.507
where: short stacking energy: -40.494
Base-Backbone interact. energy: -0.238
local terms energy: -70.483797
where:
bonds (distance) C4'-P energy: -20.886
bonds (distance) P-C4' energy: -21.953
flat angles C4'-P-C4' energy: -15.407
flat angles P-C4'-P energy: -7.660
tors. eta vs tors. theta energy: -4.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -330.157691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.157691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.157691 (E_RNA)
where:
Base-Base interactions energy: -222.300
where: short stacking energy: -100.940
Base-Backbone interact. energy: -0.076
local terms energy: -107.782415
where:
bonds (distance) C4'-P energy: -19.508
bonds (distance) P-C4' energy: -20.989
flat angles C4'-P-C4' energy: -24.321
flat angles P-C4'-P energy: -14.701
tors. eta vs tors. theta energy: -28.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -312.726525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.726525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.726525 (E_RNA)
where:
Base-Base interactions energy: -205.531
where: short stacking energy: -91.613
Base-Backbone interact. energy: -0.133
local terms energy: -107.063479
where:
bonds (distance) C4'-P energy: -18.439
bonds (distance) P-C4' energy: -21.755
flat angles C4'-P-C4' energy: -21.150
flat angles P-C4'-P energy: -17.000
tors. eta vs tors. theta energy: -28.719
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: 10
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -300.757528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.757528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.757528 (E_RNA)
where:
Base-Base interactions energy: -205.392
where: short stacking energy: -87.281
Base-Backbone interact. energy: -0.648
local terms energy: -94.718326
where:
bonds (distance) C4'-P energy: -19.634
bonds (distance) P-C4' energy: -21.489
flat angles C4'-P-C4' energy: -22.442
flat angles P-C4'-P energy: -6.125
tors. eta vs tors. theta energy: -25.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -301.010868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.010868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.010868 (E_RNA)
where:
Base-Base interactions energy: -204.116
where: short stacking energy: -82.273
Base-Backbone interact. energy: -0.818
local terms energy: -96.076500
where:
bonds (distance) C4'-P energy: -20.223
bonds (distance) P-C4' energy: -20.568
flat angles C4'-P-C4' energy: -18.465
flat angles P-C4'-P energy: -13.921
tors. eta vs tors. theta energy: -22.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -293.649330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.649330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.649330 (E_RNA)
where:
Base-Base interactions energy: -196.771
where: short stacking energy: -90.037
Base-Backbone interact. energy: -0.350
local terms energy: -96.528026
where:
bonds (distance) C4'-P energy: -18.305
bonds (distance) P-C4' energy: -21.795
flat angles C4'-P-C4' energy: -19.746
flat angles P-C4'-P energy: -10.585
tors. eta vs tors. theta energy: -26.097
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: 1
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -272.133017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.133017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.133017 (E_RNA)
where:
Base-Base interactions energy: -172.672
where: short stacking energy: -83.941
Base-Backbone interact. energy: -0.045
local terms energy: -99.415711
where:
bonds (distance) C4'-P energy: -22.103
bonds (distance) P-C4' energy: -18.974
flat angles C4'-P-C4' energy: -19.259
flat angles P-C4'-P energy: -17.949
tors. eta vs tors. theta energy: -21.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -208.555405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.555405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.555405 (E_RNA)
where:
Base-Base interactions energy: -138.295
where: short stacking energy: -45.363
Base-Backbone interact. energy: -0.257
local terms energy: -70.003313
where:
bonds (distance) C4'-P energy: -18.922
bonds (distance) P-C4' energy: -9.120
flat angles C4'-P-C4' energy: -20.905
flat angles P-C4'-P energy: -13.792
tors. eta vs tors. theta energy: -7.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -140.007735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.007735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.007735 (E_RNA)
where:
Base-Base interactions energy: -70.028
where: short stacking energy: -49.179
Base-Backbone interact. energy: -0.411
local terms energy: -69.568054
where:
bonds (distance) C4'-P energy: -19.822
bonds (distance) P-C4' energy: -21.948
flat angles C4'-P-C4' energy: -21.525
flat angles P-C4'-P energy: -8.535
tors. eta vs tors. theta energy: 2.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -142.337759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.337759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.337759 (E_RNA)
where:
Base-Base interactions energy: -62.088
where: short stacking energy: -39.345
Base-Backbone interact. energy: -0.087
local terms energy: -80.162802
where:
bonds (distance) C4'-P energy: -18.547
bonds (distance) P-C4' energy: -22.039
flat angles C4'-P-C4' energy: -18.371
flat angles P-C4'-P energy: -15.037
tors. eta vs tors. theta energy: -6.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -136.543238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.543238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.543238 (E_RNA)
where:
Base-Base interactions energy: -83.108
where: short stacking energy: -50.029
Base-Backbone interact. energy: -0.161
local terms energy: -53.274089
where:
bonds (distance) C4'-P energy: -12.863
bonds (distance) P-C4' energy: -13.245
flat angles C4'-P-C4' energy: -13.832
flat angles P-C4'-P energy: -5.509
tors. eta vs tors. theta energy: -7.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -322.382726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.382726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.382726 (E_RNA)
where:
Base-Base interactions energy: -214.991
where: short stacking energy: -89.312
Base-Backbone interact. energy: -0.893
local terms energy: -106.499531
where:
bonds (distance) C4'-P energy: -20.407
bonds (distance) P-C4' energy: -19.127
flat angles C4'-P-C4' energy: -21.521
flat angles P-C4'-P energy: -18.168
tors. eta vs tors. theta energy: -27.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -305.207974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.207974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.207974 (E_RNA)
where:
Base-Base interactions energy: -206.069
where: short stacking energy: -76.152
Base-Backbone interact. energy: -0.314
local terms energy: -98.824289
where:
bonds (distance) C4'-P energy: -19.562
bonds (distance) P-C4' energy: -23.292
flat angles C4'-P-C4' energy: -15.266
flat angles P-C4'-P energy: -15.769
tors. eta vs tors. theta energy: -24.936
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: 7
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -306.492033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.492033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.492033 (E_RNA)
where:
Base-Base interactions energy: -197.385
where: short stacking energy: -89.551
Base-Backbone interact. energy: -1.343
local terms energy: -107.764626
where:
bonds (distance) C4'-P energy: -21.162
bonds (distance) P-C4' energy: -21.505
flat angles C4'-P-C4' energy: -22.220
flat angles P-C4'-P energy: -16.415
tors. eta vs tors. theta energy: -26.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -290.253356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.253356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.253356 (E_RNA)
where:
Base-Base interactions energy: -199.037
where: short stacking energy: -86.839
Base-Backbone interact. energy: 1.034
local terms energy: -92.250046
where:
bonds (distance) C4'-P energy: -15.241
bonds (distance) P-C4' energy: -19.863
flat angles C4'-P-C4' energy: -23.141
flat angles P-C4'-P energy: -11.634
tors. eta vs tors. theta energy: -22.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -277.552698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.552698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.552698 (E_RNA)
where:
Base-Base interactions energy: -184.376
where: short stacking energy: -80.570
Base-Backbone interact. energy: -1.000
local terms energy: -92.177383
where:
bonds (distance) C4'-P energy: -16.923
bonds (distance) P-C4' energy: -14.988
flat angles C4'-P-C4' energy: -21.690
flat angles P-C4'-P energy: -13.360
tors. eta vs tors. theta energy: -25.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -284.770795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.770795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.770795 (E_RNA)
where:
Base-Base interactions energy: -192.843
where: short stacking energy: -88.627
Base-Backbone interact. energy: -0.342
local terms energy: -91.585653
where:
bonds (distance) C4'-P energy: -16.511
bonds (distance) P-C4' energy: -19.479
flat angles C4'-P-C4' energy: -16.131
flat angles P-C4'-P energy: -14.591
tors. eta vs tors. theta energy: -24.874
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: 8
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -201.061583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.061583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.061583 (E_RNA)
where:
Base-Base interactions energy: -129.227
where: short stacking energy: -61.258
Base-Backbone interact. energy: -0.363
local terms energy: -71.471560
where:
bonds (distance) C4'-P energy: -15.144
bonds (distance) P-C4' energy: -21.640
flat angles C4'-P-C4' energy: -17.474
flat angles P-C4'-P energy: -7.137
tors. eta vs tors. theta energy: -10.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -130.776876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.776876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.776876 (E_RNA)
where:
Base-Base interactions energy: -57.887
where: short stacking energy: -27.541
Base-Backbone interact. energy: -0.229
local terms energy: -72.661144
where:
bonds (distance) C4'-P energy: -19.271
bonds (distance) P-C4' energy: -14.968
flat angles C4'-P-C4' energy: -22.307
flat angles P-C4'-P energy: -12.148
tors. eta vs tors. theta energy: -3.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -155.951438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.951438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.951438 (E_RNA)
where:
Base-Base interactions energy: -84.526
where: short stacking energy: -37.576
Base-Backbone interact. energy: -0.584
local terms energy: -70.841668
where:
bonds (distance) C4'-P energy: -17.809
bonds (distance) P-C4' energy: -19.865
flat angles C4'-P-C4' energy: -14.364
flat angles P-C4'-P energy: -9.685
tors. eta vs tors. theta energy: -9.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -116.344017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.344017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.344017 (E_RNA)
where:
Base-Base interactions energy: -54.315
where: short stacking energy: -49.401
Base-Backbone interact. energy: -0.322
local terms energy: -61.706892
where:
bonds (distance) C4'-P energy: -14.914
bonds (distance) P-C4' energy: -11.832
flat angles C4'-P-C4' energy: -18.253
flat angles P-C4'-P energy: -8.679
tors. eta vs tors. theta energy: -8.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -326.373708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.373708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.373708 (E_RNA)
where:
Base-Base interactions energy: -220.346
where: short stacking energy: -94.560
Base-Backbone interact. energy: -0.155
local terms energy: -105.872577
where:
bonds (distance) C4'-P energy: -21.735
bonds (distance) P-C4' energy: -19.624
flat angles C4'-P-C4' energy: -20.563
flat angles P-C4'-P energy: -16.899
tors. eta vs tors. theta energy: -27.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -305.998415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.998415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.998415 (E_RNA)
where:
Base-Base interactions energy: -209.630
where: short stacking energy: -86.235
Base-Backbone interact. energy: 0.019
local terms energy: -96.388068
where:
bonds (distance) C4'-P energy: -22.012
bonds (distance) P-C4' energy: -16.489
flat angles C4'-P-C4' energy: -18.553
flat angles P-C4'-P energy: -15.285
tors. eta vs tors. theta energy: -24.049
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: 3
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -313.718412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.718412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.718412 (E_RNA)
where:
Base-Base interactions energy: -215.399
where: short stacking energy: -91.556
Base-Backbone interact. energy: -0.336
local terms energy: -97.983054
where:
bonds (distance) C4'-P energy: -19.068
bonds (distance) P-C4' energy: -19.123
flat angles C4'-P-C4' energy: -23.861
flat angles P-C4'-P energy: -12.803
tors. eta vs tors. theta energy: -23.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -267.531362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.531362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.531362 (E_RNA)
where:
Base-Base interactions energy: -174.381
where: short stacking energy: -83.360
Base-Backbone interact. energy: -0.764
local terms energy: -92.386076
where:
bonds (distance) C4'-P energy: -14.389
bonds (distance) P-C4' energy: -19.294
flat angles C4'-P-C4' energy: -22.956
flat angles P-C4'-P energy: -15.181
tors. eta vs tors. theta energy: -20.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -279.227969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.227969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.227969 (E_RNA)
where:
Base-Base interactions energy: -192.516
where: short stacking energy: -65.829
Base-Backbone interact. energy: -0.376
local terms energy: -86.335860
where:
bonds (distance) C4'-P energy: -18.659
bonds (distance) P-C4' energy: -16.867
flat angles C4'-P-C4' energy: -19.890
flat angles P-C4'-P energy: -12.174
tors. eta vs tors. theta energy: -18.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -257.555555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.555555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.555555 (E_RNA)
where:
Base-Base interactions energy: -162.686
where: short stacking energy: -71.949
Base-Backbone interact. energy: -0.200
local terms energy: -94.669780
where:
bonds (distance) C4'-P energy: -20.725
bonds (distance) P-C4' energy: -21.517
flat angles C4'-P-C4' energy: -20.129
flat angles P-C4'-P energy: -11.867
tors. eta vs tors. theta energy: -20.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -203.830787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.830787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.830787 (E_RNA)
where:
Base-Base interactions energy: -129.329
where: short stacking energy: -61.286
Base-Backbone interact. energy: 1.475
local terms energy: -75.976924
where:
bonds (distance) C4'-P energy: -16.142
bonds (distance) P-C4' energy: -19.495
flat angles C4'-P-C4' energy: -16.110
flat angles P-C4'-P energy: -10.680
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: 8, replica: 4
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -182.366205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.366205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.366205 (E_RNA)
where:
Base-Base interactions energy: -115.837
where: short stacking energy: -46.674
Base-Backbone interact. energy: -0.611
local terms energy: -65.918931
where:
bonds (distance) C4'-P energy: -13.659
bonds (distance) P-C4' energy: -18.674
flat angles C4'-P-C4' energy: -18.131
flat angles P-C4'-P energy: -8.035
tors. eta vs tors. theta energy: -7.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -115.392328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.392328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.392328 (E_RNA)
where:
Base-Base interactions energy: -31.410
where: short stacking energy: -24.634
Base-Backbone interact. energy: -0.214
local terms energy: -83.767889
where:
bonds (distance) C4'-P energy: -16.360
bonds (distance) P-C4' energy: -20.700
flat angles C4'-P-C4' energy: -21.838
flat angles P-C4'-P energy: -18.594
tors. eta vs tors. theta energy: -6.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -95.249856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.249856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.249856 (E_RNA)
where:
Base-Base interactions energy: -44.508
where: short stacking energy: -24.319
Base-Backbone interact. energy: 0.572
local terms energy: -51.313896
where:
bonds (distance) C4'-P energy: -17.564
bonds (distance) P-C4' energy: -11.931
flat angles C4'-P-C4' energy: -12.642
flat angles P-C4'-P energy: -5.873
tors. eta vs tors. theta energy: -3.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -327.328517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.328517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.328517 (E_RNA)
where:
Base-Base interactions energy: -229.400
where: short stacking energy: -103.941
Base-Backbone interact. energy: -0.298
local terms energy: -97.629922
where:
bonds (distance) C4'-P energy: -18.485
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -19.409
flat angles P-C4'-P energy: -14.666
tors. eta vs tors. theta energy: -29.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -320.386263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.386263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.386263 (E_RNA)
where:
Base-Base interactions energy: -223.695
where: short stacking energy: -98.393
Base-Backbone interact. energy: -0.151
local terms energy: -96.540060
where:
bonds (distance) C4'-P energy: -20.941
bonds (distance) P-C4' energy: -20.416
flat angles C4'-P-C4' energy: -20.446
flat angles P-C4'-P energy: -5.125
tors. eta vs tors. theta energy: -29.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -316.649459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.649459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.649459 (E_RNA)
where:
Base-Base interactions energy: -215.846
where: short stacking energy: -92.903
Base-Backbone interact. energy: -0.867
local terms energy: -99.936233
where:
bonds (distance) C4'-P energy: -17.745
bonds (distance) P-C4' energy: -22.270
flat angles C4'-P-C4' energy: -21.582
flat angles P-C4'-P energy: -14.557
tors. eta vs tors. theta energy: -23.783
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: 1
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -286.740595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.740595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.740595 (E_RNA)
where:
Base-Base interactions energy: -199.531
where: short stacking energy: -79.341
Base-Backbone interact. energy: -0.178
local terms energy: -87.032389
where:
bonds (distance) C4'-P energy: -19.124
bonds (distance) P-C4' energy: -21.632
flat angles C4'-P-C4' energy: -16.889
flat angles P-C4'-P energy: -9.562
tors. eta vs tors. theta energy: -19.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -286.467388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.467388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.467388 (E_RNA)
where:
Base-Base interactions energy: -189.008
where: short stacking energy: -78.655
Base-Backbone interact. energy: -0.057
local terms energy: -97.402590
where:
bonds (distance) C4'-P energy: -21.050
bonds (distance) P-C4' energy: -15.116
flat angles C4'-P-C4' energy: -17.337
flat angles P-C4'-P energy: -17.922
tors. eta vs tors. theta energy: -25.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -278.511007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.511007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.511007 (E_RNA)
where:
Base-Base interactions energy: -192.090
where: short stacking energy: -74.394
Base-Backbone interact. energy: -1.396
local terms energy: -85.025336
where:
bonds (distance) C4'-P energy: -17.429
bonds (distance) P-C4' energy: -17.816
flat angles C4'-P-C4' energy: -19.919
flat angles P-C4'-P energy: -11.789
tors. eta vs tors. theta energy: -18.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -203.629566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.629566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.629566 (E_RNA)
where:
Base-Base interactions energy: -130.535
where: short stacking energy: -67.343
Base-Backbone interact. energy: -0.178
local terms energy: -72.916027
where:
bonds (distance) C4'-P energy: -19.901
bonds (distance) P-C4' energy: -15.784
flat angles C4'-P-C4' energy: -20.824
flat angles P-C4'-P energy: -3.791
tors. eta vs tors. theta energy: -12.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -196.906611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.906611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.906611 (E_RNA)
where:
Base-Base interactions energy: -121.898
where: short stacking energy: -53.001
Base-Backbone interact. energy: -0.380
local terms energy: -74.628748
where:
bonds (distance) C4'-P energy: -14.270
bonds (distance) P-C4' energy: -18.116
flat angles C4'-P-C4' energy: -17.759
flat angles P-C4'-P energy: -9.393
tors. eta vs tors. theta energy: -15.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -110.423007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.423007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.423007 (E_RNA)
where:
Base-Base interactions energy: -46.583
where: short stacking energy: -33.166
Base-Backbone interact. energy: -0.569
local terms energy: -63.270904
where:
bonds (distance) C4'-P energy: -19.686
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -17.131
flat angles P-C4'-P energy: -9.379
tors. eta vs tors. theta energy: 0.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -166.526076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.526076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.526076 (E_RNA)
where:
Base-Base interactions energy: -98.016
where: short stacking energy: -51.387
Base-Backbone interact. energy: 0.179
local terms energy: -68.689151
where:
bonds (distance) C4'-P energy: -10.495
bonds (distance) P-C4' energy: -18.288
flat angles C4'-P-C4' energy: -21.499
flat angles P-C4'-P energy: -10.689
tors. eta vs tors. theta energy: -7.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -323.502258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.502258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.502258 (E_RNA)
where:
Base-Base interactions energy: -222.545
where: short stacking energy: -92.425
Base-Backbone interact. energy: 0.071
local terms energy: -101.028271
where:
bonds (distance) C4'-P energy: -16.973
bonds (distance) P-C4' energy: -21.876
flat angles C4'-P-C4' energy: -22.834
flat angles P-C4'-P energy: -12.200
tors. eta vs tors. theta energy: -27.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -321.553942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.553942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.553942 (E_RNA)
where:
Base-Base interactions energy: -223.210
where: short stacking energy: -93.450
Base-Backbone interact. energy: -0.103
local terms energy: -98.240811
where:
bonds (distance) C4'-P energy: -20.046
bonds (distance) P-C4' energy: -15.691
flat angles C4'-P-C4' energy: -20.175
flat angles P-C4'-P energy: -16.414
tors. eta vs tors. theta energy: -25.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -316.657512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.657512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.657512 (E_RNA)
where:
Base-Base interactions energy: -213.539
where: short stacking energy: -92.342
Base-Backbone interact. energy: -0.517
local terms energy: -102.602218
where:
bonds (distance) C4'-P energy: -17.459
bonds (distance) P-C4' energy: -22.116
flat angles C4'-P-C4' energy: -23.738
flat angles P-C4'-P energy: -15.742
tors. eta vs tors. theta energy: -23.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -308.435217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.435217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.435217 (E_RNA)
where:
Base-Base interactions energy: -213.551
where: short stacking energy: -97.594
Base-Backbone interact. energy: -0.181
local terms energy: -94.702377
where:
bonds (distance) C4'-P energy: -10.614
bonds (distance) P-C4' energy: -21.876
flat angles C4'-P-C4' energy: -19.488
flat angles P-C4'-P energy: -15.080
tors. eta vs tors. theta energy: -27.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -274.656636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.656636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.656636 (E_RNA)
where:
Base-Base interactions energy: -173.681
where: short stacking energy: -68.573
Base-Backbone interact. energy: -0.318
local terms energy: -100.657390
where:
bonds (distance) C4'-P energy: -21.781
bonds (distance) P-C4' energy: -18.821
flat angles C4'-P-C4' energy: -25.409
flat angles P-C4'-P energy: -15.785
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: 6, replica: 4
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -222.159988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.159988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.159988 (E_RNA)
where:
Base-Base interactions energy: -140.742
where: short stacking energy: -72.867
Base-Backbone interact. energy: 0.059
local terms energy: -81.477248
where:
bonds (distance) C4'-P energy: -15.503
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -19.865
flat angles P-C4'-P energy: -13.996
tors. eta vs tors. theta energy: -15.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -270.953845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.953845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.953845 (E_RNA)
where:
Base-Base interactions energy: -187.667
where: short stacking energy: -72.841
Base-Backbone interact. energy: -0.168
local terms energy: -83.118525
where:
bonds (distance) C4'-P energy: -19.826
bonds (distance) P-C4' energy: -17.125
flat angles C4'-P-C4' energy: -14.182
flat angles P-C4'-P energy: -8.170
tors. eta vs tors. theta energy: -23.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -164.072745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.072745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.072745 (E_RNA)
where:
Base-Base interactions energy: -100.650
where: short stacking energy: -45.104
Base-Backbone interact. energy: -0.334
local terms energy: -63.088914
where:
bonds (distance) C4'-P energy: -21.809
bonds (distance) P-C4' energy: -20.092
flat angles C4'-P-C4' energy: -10.192
flat angles P-C4'-P energy: -9.804
tors. eta vs tors. theta energy: -1.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -111.141411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.141411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.141411 (E_RNA)
where:
Base-Base interactions energy: -44.020
where: short stacking energy: -43.671
Base-Backbone interact. energy: 0.900
local terms energy: -68.022229
where:
bonds (distance) C4'-P energy: -15.140
bonds (distance) P-C4' energy: -19.581
flat angles C4'-P-C4' energy: -14.898
flat angles P-C4'-P energy: -11.655
tors. eta vs tors. theta energy: -6.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -153.089861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.089861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.089861 (E_RNA)
where:
Base-Base interactions energy: -81.020
where: short stacking energy: -38.813
Base-Backbone interact. energy: -0.187
local terms energy: -71.883054
where:
bonds (distance) C4'-P energy: -19.550
bonds (distance) P-C4' energy: -20.033
flat angles C4'-P-C4' energy: -19.015
flat angles P-C4'-P energy: -7.927
tors. eta vs tors. theta energy: -5.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -325.935788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.935788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.935788 (E_RNA)
where:
Base-Base interactions energy: -222.875
where: short stacking energy: -93.153
Base-Backbone interact. energy: -1.030
local terms energy: -102.030535
where:
bonds (distance) C4'-P energy: -20.989
bonds (distance) P-C4' energy: -23.039
flat angles C4'-P-C4' energy: -19.833
flat angles P-C4'-P energy: -15.766
tors. eta vs tors. theta energy: -22.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -332.762010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.762010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.762010 (E_RNA)
where:
Base-Base interactions energy: -230.609
where: short stacking energy: -97.018
Base-Backbone interact. energy: -0.430
local terms energy: -101.722335
where:
bonds (distance) C4'-P energy: -15.242
bonds (distance) P-C4' energy: -21.633
flat angles C4'-P-C4' energy: -21.625
flat angles P-C4'-P energy: -18.587
tors. eta vs tors. theta energy: -24.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -300.416411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.416411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.416411 (E_RNA)
where:
Base-Base interactions energy: -205.153
where: short stacking energy: -92.677
Base-Backbone interact. energy: -0.004
local terms energy: -95.259137
where:
bonds (distance) C4'-P energy: -17.520
bonds (distance) P-C4' energy: -21.971
flat angles C4'-P-C4' energy: -18.323
flat angles P-C4'-P energy: -14.010
tors. eta vs tors. theta energy: -23.436
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: 3
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -313.614518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.614518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.614518 (E_RNA)
where:
Base-Base interactions energy: -218.845
where: short stacking energy: -91.848
Base-Backbone interact. energy: -1.045
local terms energy: -93.724079
where:
bonds (distance) C4'-P energy: -18.369
bonds (distance) P-C4' energy: -19.986
flat angles C4'-P-C4' energy: -19.595
flat angles P-C4'-P energy: -14.814
tors. eta vs tors. theta energy: -20.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -277.756176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.756176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.756176 (E_RNA)
where:
Base-Base interactions energy: -196.433
where: short stacking energy: -73.838
Base-Backbone interact. energy: -0.499
local terms energy: -80.823969
where:
bonds (distance) C4'-P energy: -15.376
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -17.766
flat angles P-C4'-P energy: -11.206
tors. eta vs tors. theta energy: -19.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -216.632149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.632149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.632149 (E_RNA)
where:
Base-Base interactions energy: -137.050
where: short stacking energy: -70.635
Base-Backbone interact. energy: -0.281
local terms energy: -79.301851
where:
bonds (distance) C4'-P energy: -15.405
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -19.279
flat angles P-C4'-P energy: -7.188
tors. eta vs tors. theta energy: -20.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -261.529564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.529564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.529564 (E_RNA)
where:
Base-Base interactions energy: -181.168
where: short stacking energy: -70.873
Base-Backbone interact. energy: 1.154
local terms energy: -81.515405
where:
bonds (distance) C4'-P energy: -15.931
bonds (distance) P-C4' energy: -17.598
flat angles C4'-P-C4' energy: -22.045
flat angles P-C4'-P energy: -7.728
tors. eta vs tors. theta energy: -18.213
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: 8
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -170.860634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.860634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.860634 (E_RNA)
where:
Base-Base interactions energy: -99.348
where: short stacking energy: -52.729
Base-Backbone interact. energy: -0.248
local terms energy: -71.264100
where:
bonds (distance) C4'-P energy: -12.638
bonds (distance) P-C4' energy: -22.616
flat angles C4'-P-C4' energy: -18.474
flat angles P-C4'-P energy: -9.970
tors. eta vs tors. theta energy: -7.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -173.833130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.833130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.833130 (E_RNA)
where:
Base-Base interactions energy: -98.247
where: short stacking energy: -47.840
Base-Backbone interact. energy: 0.071
local terms energy: -75.657433
where:
bonds (distance) C4'-P energy: -15.145
bonds (distance) P-C4' energy: -21.650
flat angles C4'-P-C4' energy: -14.968
flat angles P-C4'-P energy: -11.829
tors. eta vs tors. theta energy: -12.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -100.440718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.440718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.440718 (E_RNA)
where:
Base-Base interactions energy: -34.311
where: short stacking energy: -22.443
Base-Backbone interact. energy: 0.963
local terms energy: -67.092025
where:
bonds (distance) C4'-P energy: -18.033
bonds (distance) P-C4' energy: -23.266
flat angles C4'-P-C4' energy: -20.667
flat angles P-C4'-P energy: -9.456
tors. eta vs tors. theta energy: 4.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -333.919461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.919461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.919461 (E_RNA)
where:
Base-Base interactions energy: -235.354
where: short stacking energy: -94.224
Base-Backbone interact. energy: -0.076
local terms energy: -98.489461
where:
bonds (distance) C4'-P energy: -14.249
bonds (distance) P-C4' energy: -23.042
flat angles C4'-P-C4' energy: -24.936
flat angles P-C4'-P energy: -13.020
tors. eta vs tors. theta energy: -23.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -301.971399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.971399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.971399 (E_RNA)
where:
Base-Base interactions energy: -196.772
where: short stacking energy: -97.777
Base-Backbone interact. energy: -0.005
local terms energy: -105.194512
where:
bonds (distance) C4'-P energy: -22.369
bonds (distance) P-C4' energy: -23.476
flat angles C4'-P-C4' energy: -19.355
flat angles P-C4'-P energy: -14.602
tors. eta vs tors. theta energy: -25.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -326.753159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.753159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.753159 (E_RNA)
where:
Base-Base interactions energy: -217.838
where: short stacking energy: -93.561
Base-Backbone interact. energy: -0.109
local terms energy: -108.805855
where:
bonds (distance) C4'-P energy: -20.989
bonds (distance) P-C4' energy: -21.767
flat angles C4'-P-C4' energy: -19.613
flat angles P-C4'-P energy: -18.102
tors. eta vs tors. theta energy: -28.334
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: 3
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -318.281674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.281674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.281674 (E_RNA)
where:
Base-Base interactions energy: -215.873
where: short stacking energy: -92.259
Base-Backbone interact. energy: -0.677
local terms energy: -101.732132
where:
bonds (distance) C4'-P energy: -18.328
bonds (distance) P-C4' energy: -21.099
flat angles C4'-P-C4' energy: -21.705
flat angles P-C4'-P energy: -16.245
tors. eta vs tors. theta energy: -24.355
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: 1
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -274.764478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.764478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.764478 (E_RNA)
where:
Base-Base interactions energy: -192.004
where: short stacking energy: -83.998
Base-Backbone interact. energy: -0.277
local terms energy: -82.483451
where:
bonds (distance) C4'-P energy: -17.654
bonds (distance) P-C4' energy: -22.292
flat angles C4'-P-C4' energy: -15.841
flat angles P-C4'-P energy: -9.073
tors. eta vs tors. theta energy: -17.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -274.327954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.327954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.327954 (E_RNA)
where:
Base-Base interactions energy: -195.683
where: short stacking energy: -81.862
Base-Backbone interact. energy: -0.112
local terms energy: -78.533146
where:
bonds (distance) C4'-P energy: -14.412
bonds (distance) P-C4' energy: -22.908
flat angles C4'-P-C4' energy: -14.387
flat angles P-C4'-P energy: 0.152
tors. eta vs tors. theta energy: -26.978
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: 7, replica: 4
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -214.330115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.330115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.330115 (E_RNA)
where:
Base-Base interactions energy: -134.435
where: short stacking energy: -69.459
Base-Backbone interact. energy: -0.036
local terms energy: -79.858905
where:
bonds (distance) C4'-P energy: -13.914
bonds (distance) P-C4' energy: -15.809
flat angles C4'-P-C4' energy: -22.034
flat angles P-C4'-P energy: -11.252
tors. eta vs tors. theta energy: -16.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -191.820477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.820477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.820477 (E_RNA)
where:
Base-Base interactions energy: -117.400
where: short stacking energy: -53.496
Base-Backbone interact. energy: -0.708
local terms energy: -73.711971
where:
bonds (distance) C4'-P energy: -16.372
bonds (distance) P-C4' energy: -21.277
flat angles C4'-P-C4' energy: -13.752
flat angles P-C4'-P energy: -13.264
tors. eta vs tors. theta energy: -9.046
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: 8
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -145.180124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.180124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.180124 (E_RNA)
where:
Base-Base interactions energy: -87.521
where: short stacking energy: -48.708
Base-Backbone interact. energy: -0.596
local terms energy: -57.062791
where:
bonds (distance) C4'-P energy: -14.174
bonds (distance) P-C4' energy: -13.340
flat angles C4'-P-C4' energy: -14.590
flat angles P-C4'-P energy: -8.814
tors. eta vs tors. theta energy: -6.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -109.879699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.879699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.879699 (E_RNA)
where:
Base-Base interactions energy: -58.471
where: short stacking energy: -34.978
Base-Backbone interact. energy: 1.555
local terms energy: -52.963785
where:
bonds (distance) C4'-P energy: -8.650
bonds (distance) P-C4' energy: -18.528
flat angles C4'-P-C4' energy: -12.422
flat angles P-C4'-P energy: -11.997
tors. eta vs tors. theta energy: -1.368
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: 7
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -324.046630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.046630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.046630 (E_RNA)
where:
Base-Base interactions energy: -219.760
where: short stacking energy: -96.054
Base-Backbone interact. energy: -0.458
local terms energy: -103.828502
where:
bonds (distance) C4'-P energy: -18.989
bonds (distance) P-C4' energy: -21.742
flat angles C4'-P-C4' energy: -21.992
flat angles P-C4'-P energy: -13.297
tors. eta vs tors. theta energy: -27.808
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: 6
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -301.167200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.167200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.167200 (E_RNA)
where:
Base-Base interactions energy: -197.290
where: short stacking energy: -88.212
Base-Backbone interact. energy: 0.259
local terms energy: -104.135621
where:
bonds (distance) C4'-P energy: -20.969
bonds (distance) P-C4' energy: -23.773
flat angles C4'-P-C4' energy: -23.036
flat angles P-C4'-P energy: -12.556
tors. eta vs tors. theta energy: -23.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -305.560483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.560483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.560483 (E_RNA)
where:
Base-Base interactions energy: -202.843
where: short stacking energy: -86.961
Base-Backbone interact. energy: -0.136
local terms energy: -102.581463
where:
bonds (distance) C4'-P energy: -21.126
bonds (distance) P-C4' energy: -19.439
flat angles C4'-P-C4' energy: -23.789
flat angles P-C4'-P energy: -13.479
tors. eta vs tors. theta energy: -24.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -315.137352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.137352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.137352 (E_RNA)
where:
Base-Base interactions energy: -209.818
where: short stacking energy: -98.522
Base-Backbone interact. energy: -0.148
local terms energy: -105.170592
where:
bonds (distance) C4'-P energy: -18.577
bonds (distance) P-C4' energy: -21.056
flat angles C4'-P-C4' energy: -22.300
flat angles P-C4'-P energy: -14.389
tors. eta vs tors. theta energy: -28.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -262.881031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.881031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.881031 (E_RNA)
where:
Base-Base interactions energy: -182.428
where: short stacking energy: -72.627
Base-Backbone interact. energy: -0.276
local terms energy: -80.177185
where:
bonds (distance) C4'-P energy: -18.536
bonds (distance) P-C4' energy: -17.894
flat angles C4'-P-C4' energy: -22.404
flat angles P-C4'-P energy: -9.110
tors. eta vs tors. theta energy: -12.234
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: 1
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -265.556206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.556206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.556206 (E_RNA)
where:
Base-Base interactions energy: -179.904
where: short stacking energy: -70.825
Base-Backbone interact. energy: -0.033
local terms energy: -85.619920
where:
bonds (distance) C4'-P energy: -20.683
bonds (distance) P-C4' energy: -14.934
flat angles C4'-P-C4' energy: -17.585
flat angles P-C4'-P energy: -15.246
tors. eta vs tors. theta energy: -17.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -187.217049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.217049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.217049 (E_RNA)
where:
Base-Base interactions energy: -112.424
where: short stacking energy: -67.867
Base-Backbone interact. energy: 1.653
local terms energy: -76.446238
where:
bonds (distance) C4'-P energy: -20.070
bonds (distance) P-C4' energy: -16.235
flat angles C4'-P-C4' energy: -18.932
flat angles P-C4'-P energy: -5.392
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: 8, replica: 4
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -202.454426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.454426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.454426 (E_RNA)
where:
Base-Base interactions energy: -123.382
where: short stacking energy: -55.818
Base-Backbone interact. energy: -0.174
local terms energy: -78.898380
where:
bonds (distance) C4'-P energy: -16.874
bonds (distance) P-C4' energy: -17.006
flat angles C4'-P-C4' energy: -19.473
flat angles P-C4'-P energy: -10.047
tors. eta vs tors. theta energy: -15.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -117.748654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.748654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.748654 (E_RNA)
where:
Base-Base interactions energy: -53.162
where: short stacking energy: -53.162
Base-Backbone interact. energy: -0.150
local terms energy: -64.435878
where:
bonds (distance) C4'-P energy: -18.311
bonds (distance) P-C4' energy: -14.791
flat angles C4'-P-C4' energy: -14.637
flat angles P-C4'-P energy: -9.646
tors. eta vs tors. theta energy: -7.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -153.708710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.708710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.708710 (E_RNA)
where:
Base-Base interactions energy: -81.707
where: short stacking energy: -40.331
Base-Backbone interact. energy: -0.172
local terms energy: -71.829801
where:
bonds (distance) C4'-P energy: -15.486
bonds (distance) P-C4' energy: -22.295
flat angles C4'-P-C4' energy: -18.088
flat angles P-C4'-P energy: -8.438
tors. eta vs tors. theta energy: -7.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -331.192408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.192408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.192408 (E_RNA)
where:
Base-Base interactions energy: -222.400
where: short stacking energy: -93.540
Base-Backbone interact. energy: -0.081
local terms energy: -108.712049
where:
bonds (distance) C4'-P energy: -18.965
bonds (distance) P-C4' energy: -21.715
flat angles C4'-P-C4' energy: -25.726
flat angles P-C4'-P energy: -16.540
tors. eta vs tors. theta energy: -25.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -317.842805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.842805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.842805 (E_RNA)
where:
Base-Base interactions energy: -213.582
where: short stacking energy: -88.386
Base-Backbone interact. energy: 0.281
local terms energy: -104.541159
where:
bonds (distance) C4'-P energy: -22.460
bonds (distance) P-C4' energy: -22.781
flat angles C4'-P-C4' energy: -20.848
flat angles P-C4'-P energy: -14.539
tors. eta vs tors. theta energy: -23.913
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: 6
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -305.506173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.506173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.506173 (E_RNA)
where:
Base-Base interactions energy: -204.163
where: short stacking energy: -93.955
Base-Backbone interact. energy: -0.015
local terms energy: -101.327482
where:
bonds (distance) C4'-P energy: -18.932
bonds (distance) P-C4' energy: -19.664
flat angles C4'-P-C4' energy: -20.871
flat angles P-C4'-P energy: -15.700
tors. eta vs tors. theta energy: -26.160
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: 2
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -319.015251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.015251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.015251 (E_RNA)
where:
Base-Base interactions energy: -214.377
where: short stacking energy: -86.521
Base-Backbone interact. energy: 1.229
local terms energy: -105.866575
where:
bonds (distance) C4'-P energy: -20.730
bonds (distance) P-C4' energy: -21.521
flat angles C4'-P-C4' energy: -20.757
flat angles P-C4'-P energy: -18.674
tors. eta vs tors. theta energy: -24.185
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: 10
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -247.662773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.662773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.662773 (E_RNA)
where:
Base-Base interactions energy: -157.867
where: short stacking energy: -55.472
Base-Backbone interact. energy: -0.883
local terms energy: -88.913103
where:
bonds (distance) C4'-P energy: -18.759
bonds (distance) P-C4' energy: -24.432
flat angles C4'-P-C4' energy: -15.079
flat angles P-C4'-P energy: -14.163
tors. eta vs tors. theta energy: -16.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -198.415609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.415609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.415609 (E_RNA)
where:
Base-Base interactions energy: -122.047
where: short stacking energy: -69.576
Base-Backbone interact. energy: -0.020
local terms energy: -76.348117
where:
bonds (distance) C4'-P energy: -17.886
bonds (distance) P-C4' energy: -16.822
flat angles C4'-P-C4' energy: -18.617
flat angles P-C4'-P energy: -8.940
tors. eta vs tors. theta energy: -14.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -262.029021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.029021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.029021 (E_RNA)
where:
Base-Base interactions energy: -182.503
where: short stacking energy: -76.167
Base-Backbone interact. energy: -0.773
local terms energy: -78.753407
where:
bonds (distance) C4'-P energy: -9.728
bonds (distance) P-C4' energy: -19.236
flat angles C4'-P-C4' energy: -18.214
flat angles P-C4'-P energy: -10.513
tors. eta vs tors. theta energy: -21.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -190.764269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.764269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.764269 (E_RNA)
where:
Base-Base interactions energy: -113.608
where: short stacking energy: -57.119
Base-Backbone interact. energy: -0.172
local terms energy: -76.984108
where:
bonds (distance) C4'-P energy: -16.449
bonds (distance) P-C4' energy: -17.814
flat angles C4'-P-C4' energy: -15.942
flat angles P-C4'-P energy: -12.302
tors. eta vs tors. theta energy: -14.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -110.415880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.415880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.415880 (E_RNA)
where:
Base-Base interactions energy: -40.202
where: short stacking energy: -41.402
Base-Backbone interact. energy: -1.265
local terms energy: -68.948768
where:
bonds (distance) C4'-P energy: -18.858
bonds (distance) P-C4' energy: -19.631
flat angles C4'-P-C4' energy: -13.946
flat angles P-C4'-P energy: -8.187
tors. eta vs tors. theta energy: -8.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -132.368836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.368836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.368836 (E_RNA)
where:
Base-Base interactions energy: -67.446
where: short stacking energy: -33.831
Base-Backbone interact. energy: -0.671
local terms energy: -64.251191
where:
bonds (distance) C4'-P energy: -17.376
bonds (distance) P-C4' energy: -19.406
flat angles C4'-P-C4' energy: -9.486
flat angles P-C4'-P energy: -9.098
tors. eta vs tors. theta energy: -8.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -328.640989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.640989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.640989 (E_RNA)
where:
Base-Base interactions energy: -216.786
where: short stacking energy: -97.987
Base-Backbone interact. energy: -0.377
local terms energy: -111.478394
where:
bonds (distance) C4'-P energy: -20.026
bonds (distance) P-C4' energy: -23.264
flat angles C4'-P-C4' energy: -23.042
flat angles P-C4'-P energy: -15.856
tors. eta vs tors. theta energy: -29.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -324.859010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.859010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.859010 (E_RNA)
where:
Base-Base interactions energy: -216.477
where: short stacking energy: -97.375
Base-Backbone interact. energy: -0.215
local terms energy: -108.166766
where:
bonds (distance) C4'-P energy: -19.005
bonds (distance) P-C4' energy: -19.509
flat angles C4'-P-C4' energy: -22.381
flat angles P-C4'-P energy: -16.720
tors. eta vs tors. theta energy: -30.551
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: 3, replica: 2
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -312.845036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.845036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.845036 (E_RNA)
where:
Base-Base interactions energy: -213.281
where: short stacking energy: -93.532
Base-Backbone interact. energy: 0.535
local terms energy: -100.098435
where:
bonds (distance) C4'-P energy: -18.323
bonds (distance) P-C4' energy: -18.069
flat angles C4'-P-C4' energy: -22.166
flat angles P-C4'-P energy: -14.311
tors. eta vs tors. theta energy: -27.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -284.159709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.159709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.159709 (E_RNA)
where:
Base-Base interactions energy: -189.581
where: short stacking energy: -83.833
Base-Backbone interact. energy: -0.017
local terms energy: -94.561820
where:
bonds (distance) C4'-P energy: -19.602
bonds (distance) P-C4' energy: -21.408
flat angles C4'-P-C4' energy: -17.669
flat angles P-C4'-P energy: -15.388
tors. eta vs tors. theta energy: -20.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -253.220293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.220293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.220293 (E_RNA)
where:
Base-Base interactions energy: -170.264
where: short stacking energy: -57.271
Base-Backbone interact. energy: -0.770
local terms energy: -82.186369
where:
bonds (distance) C4'-P energy: -21.330
bonds (distance) P-C4' energy: -20.920
flat angles C4'-P-C4' energy: -16.544
flat angles P-C4'-P energy: -8.886
tors. eta vs tors. theta energy: -14.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -211.738229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.738229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.738229 (E_RNA)
where:
Base-Base interactions energy: -126.353
where: short stacking energy: -66.630
Base-Backbone interact. energy: -0.107
local terms energy: -85.278608
where:
bonds (distance) C4'-P energy: -16.963
bonds (distance) P-C4' energy: -17.584
flat angles C4'-P-C4' energy: -19.117
flat angles P-C4'-P energy: -13.282
tors. eta vs tors. theta energy: -18.333
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: 346
Temperature: 1.200000
Total energy: -245.945916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.945916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.945916 (E_RNA)
where:
Base-Base interactions energy: -169.166
where: short stacking energy: -71.173
Base-Backbone interact. energy: -1.423
local terms energy: -75.356916
where:
bonds (distance) C4'-P energy: -11.729
bonds (distance) P-C4' energy: -18.224
flat angles C4'-P-C4' energy: -18.266
flat angles P-C4'-P energy: -11.655
tors. eta vs tors. theta energy: -15.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -130.955248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.955248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.955248 (E_RNA)
where:
Base-Base interactions energy: -65.914
where: short stacking energy: -30.306
Base-Backbone interact. energy: -0.029
local terms energy: -65.011504
where:
bonds (distance) C4'-P energy: -17.475
bonds (distance) P-C4' energy: -16.730
flat angles C4'-P-C4' energy: -19.965
flat angles P-C4'-P energy: -12.246
tors. eta vs tors. theta energy: 1.405
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: 346
Temperature: 1.300000
Total energy: -120.245248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.245248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.245248 (E_RNA)
where:
Base-Base interactions energy: -45.823
where: short stacking energy: -32.974
Base-Backbone interact. energy: -0.350
local terms energy: -74.072129
where:
bonds (distance) C4'-P energy: -19.280
bonds (distance) P-C4' energy: -22.094
flat angles C4'-P-C4' energy: -15.696
flat angles P-C4'-P energy: -13.752
tors. eta vs tors. theta energy: -3.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -106.223579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.223579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.223579 (E_RNA)
where:
Base-Base interactions energy: -44.010
where: short stacking energy: -35.696
Base-Backbone interact. energy: 1.395
local terms energy: -63.608238
where:
bonds (distance) C4'-P energy: -15.649
bonds (distance) P-C4' energy: -22.101
flat angles C4'-P-C4' energy: -16.722
flat angles P-C4'-P energy: -4.882
tors. eta vs tors. theta energy: -4.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -334.184639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.184639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.184639 (E_RNA)
where:
Base-Base interactions energy: -228.972
where: short stacking energy: -99.781
Base-Backbone interact. energy: -0.208
local terms energy: -105.005095
where:
bonds (distance) C4'-P energy: -21.267
bonds (distance) P-C4' energy: -19.180
flat angles C4'-P-C4' energy: -23.447
flat angles P-C4'-P energy: -16.162
tors. eta vs tors. theta energy: -24.949
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: 347
Temperature: 0.950000
Total energy: -331.147436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.147436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.147436 (E_RNA)
where:
Base-Base interactions energy: -222.403
where: short stacking energy: -98.546
Base-Backbone interact. energy: 0.390
local terms energy: -109.135152
where:
bonds (distance) C4'-P energy: -19.416
bonds (distance) P-C4' energy: -21.495
flat angles C4'-P-C4' energy: -23.709
flat angles P-C4'-P energy: -17.115
tors. eta vs tors. theta energy: -27.401
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: 3, replica: 3
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -315.010007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.010007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.010007 (E_RNA)
where:
Base-Base interactions energy: -219.812
where: short stacking energy: -94.958
Base-Backbone interact. energy: -0.079
local terms energy: -95.119561
where:
bonds (distance) C4'-P energy: -17.979
bonds (distance) P-C4' energy: -21.050
flat angles C4'-P-C4' energy: -19.204
flat angles P-C4'-P energy: -14.129
tors. eta vs tors. theta energy: -22.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -270.816086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.816086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.816086 (E_RNA)
where:
Base-Base interactions energy: -183.533
where: short stacking energy: -77.775
Base-Backbone interact. energy: 0.958
local terms energy: -88.241448
where:
bonds (distance) C4'-P energy: -21.474
bonds (distance) P-C4' energy: -17.482
flat angles C4'-P-C4' energy: -21.091
flat angles P-C4'-P energy: -11.950
tors. eta vs tors. theta energy: -16.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -266.605946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.605946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.605946 (E_RNA)
where:
Base-Base interactions energy: -178.566
where: short stacking energy: -80.647
Base-Backbone interact. energy: -0.393
local terms energy: -87.647271
where:
bonds (distance) C4'-P energy: -17.562
bonds (distance) P-C4' energy: -17.999
flat angles C4'-P-C4' energy: -14.940
flat angles P-C4'-P energy: -13.998
tors. eta vs tors. theta energy: -23.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -214.334318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.334318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.334318 (E_RNA)
where:
Base-Base interactions energy: -129.666
where: short stacking energy: -62.804
Base-Backbone interact. energy: -0.106
local terms energy: -84.562199
where:
bonds (distance) C4'-P energy: -21.049
bonds (distance) P-C4' energy: -21.491
flat angles C4'-P-C4' energy: -17.511
flat angles P-C4'-P energy: -9.479
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: 7, replica: 1
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -211.581123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.581123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.581123 (E_RNA)
where:
Base-Base interactions energy: -134.399
where: short stacking energy: -62.427
Base-Backbone interact. energy: -0.334
local terms energy: -76.847499
where:
bonds (distance) C4'-P energy: -13.064
bonds (distance) P-C4' energy: -17.788
flat angles C4'-P-C4' energy: -22.254
flat angles P-C4'-P energy: -11.861
tors. eta vs tors. theta energy: -11.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -113.480613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.480613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.480613 (E_RNA)
where:
Base-Base interactions energy: -46.689
where: short stacking energy: -46.292
Base-Backbone interact. energy: -0.028
local terms energy: -66.763285
where:
bonds (distance) C4'-P energy: -14.177
bonds (distance) P-C4' energy: -15.442
flat angles C4'-P-C4' energy: -18.830
flat angles P-C4'-P energy: -9.963
tors. eta vs tors. theta energy: -8.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -122.836617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.836617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.836617 (E_RNA)
where:
Base-Base interactions energy: -63.863
where: short stacking energy: -44.877
Base-Backbone interact. energy: 0.482
local terms energy: -59.455082
where:
bonds (distance) C4'-P energy: -13.964
bonds (distance) P-C4' energy: -19.239
flat angles C4'-P-C4' energy: -16.955
flat angles P-C4'-P energy: -4.593
tors. eta vs tors. theta energy: -4.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -104.010391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.010391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.010391 (E_RNA)
where:
Base-Base interactions energy: -41.957
where: short stacking energy: -41.957
Base-Backbone interact. energy: -0.393
local terms energy: -61.660748
where:
bonds (distance) C4'-P energy: -17.196
bonds (distance) P-C4' energy: -13.732
flat angles C4'-P-C4' energy: -21.130
flat angles P-C4'-P energy: -4.477
tors. eta vs tors. theta energy: -5.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -333.170875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.170875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.170875 (E_RNA)
where:
Base-Base interactions energy: -229.242
where: short stacking energy: -103.872
Base-Backbone interact. energy: 0.222
local terms energy: -104.151371
where:
bonds (distance) C4'-P energy: -17.376
bonds (distance) P-C4' energy: -21.351
flat angles C4'-P-C4' energy: -21.301
flat angles P-C4'-P energy: -15.732
tors. eta vs tors. theta energy: -28.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -325.685233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.685233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.685233 (E_RNA)
where:
Base-Base interactions energy: -219.936
where: short stacking energy: -91.934
Base-Backbone interact. energy: -0.091
local terms energy: -105.658026
where:
bonds (distance) C4'-P energy: -21.855
bonds (distance) P-C4' energy: -19.141
flat angles C4'-P-C4' energy: -20.368
flat angles P-C4'-P energy: -16.912
tors. eta vs tors. theta energy: -27.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -322.441419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.441419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.441419 (E_RNA)
where:
Base-Base interactions energy: -215.175
where: short stacking energy: -95.052
Base-Backbone interact. energy: -0.090
local terms energy: -107.176617
where:
bonds (distance) C4'-P energy: -19.736
bonds (distance) P-C4' energy: -20.366
flat angles C4'-P-C4' energy: -23.770
flat angles P-C4'-P energy: -14.858
tors. eta vs tors. theta energy: -28.445
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: 10
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -268.781831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.781831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.781831 (E_RNA)
where:
Base-Base interactions energy: -168.728
where: short stacking energy: -80.618
Base-Backbone interact. energy: 0.561
local terms energy: -100.614750
where:
bonds (distance) C4'-P energy: -21.013
bonds (distance) P-C4' energy: -20.560
flat angles C4'-P-C4' energy: -22.737
flat angles P-C4'-P energy: -16.417
tors. eta vs tors. theta energy: -19.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -275.742918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.742918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.742918 (E_RNA)
where:
Base-Base interactions energy: -185.044
where: short stacking energy: -82.108
Base-Backbone interact. energy: -0.699
local terms energy: -89.999909
where:
bonds (distance) C4'-P energy: -18.009
bonds (distance) P-C4' energy: -17.795
flat angles C4'-P-C4' energy: -18.800
flat angles P-C4'-P energy: -14.129
tors. eta vs tors. theta energy: -21.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -185.892257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.892257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.892257 (E_RNA)
where:
Base-Base interactions energy: -116.573
where: short stacking energy: -44.919
Base-Backbone interact. energy: -0.594
local terms energy: -68.725120
where:
bonds (distance) C4'-P energy: -15.800
bonds (distance) P-C4' energy: -20.138
flat angles C4'-P-C4' energy: -17.055
flat angles P-C4'-P energy: -8.312
tors. eta vs tors. theta energy: -7.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -213.426850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.426850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.426850 (E_RNA)
where:
Base-Base interactions energy: -130.262
where: short stacking energy: -57.567
Base-Backbone interact. energy: -0.733
local terms energy: -82.431819
where:
bonds (distance) C4'-P energy: -21.835
bonds (distance) P-C4' energy: -21.746
flat angles C4'-P-C4' energy: -14.416
flat angles P-C4'-P energy: -8.842
tors. eta vs tors. theta energy: -15.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -108.320498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.320498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.320498 (E_RNA)
where:
Base-Base interactions energy: -41.417
where: short stacking energy: -37.799
Base-Backbone interact. energy: -0.033
local terms energy: -66.870165
where:
bonds (distance) C4'-P energy: -13.876
bonds (distance) P-C4' energy: -14.881
flat angles C4'-P-C4' energy: -20.359
flat angles P-C4'-P energy: -10.869
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: 9, replica: 4
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -102.242714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.242714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.242714 (E_RNA)
where:
Base-Base interactions energy: -32.301
where: short stacking energy: -26.298
Base-Backbone interact. energy: 0.978
local terms energy: -70.919310
where:
bonds (distance) C4'-P energy: -18.924
bonds (distance) P-C4' energy: -22.162
flat angles C4'-P-C4' energy: -20.821
flat angles P-C4'-P energy: -9.295
tors. eta vs tors. theta energy: 0.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -99.241763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.241763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.241763 (E_RNA)
where:
Base-Base interactions energy: -47.126
where: short stacking energy: -39.019
Base-Backbone interact. energy: -0.203
local terms energy: -51.913586
where:
bonds (distance) C4'-P energy: -9.592
bonds (distance) P-C4' energy: -14.454
flat angles C4'-P-C4' energy: -15.693
flat angles P-C4'-P energy: -4.912
tors. eta vs tors. theta energy: -7.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -323.971568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.971568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.971568 (E_RNA)
where:
Base-Base interactions energy: -222.541
where: short stacking energy: -98.411
Base-Backbone interact. energy: 1.139
local terms energy: -102.569508
where:
bonds (distance) C4'-P energy: -19.108
bonds (distance) P-C4' energy: -24.097
flat angles C4'-P-C4' energy: -22.197
flat angles P-C4'-P energy: -13.449
tors. eta vs tors. theta energy: -23.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -321.009096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.009096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.009096 (E_RNA)
where:
Base-Base interactions energy: -213.414
where: short stacking energy: -94.737
Base-Backbone interact. energy: 0.175
local terms energy: -107.769535
where:
bonds (distance) C4'-P energy: -20.302
bonds (distance) P-C4' energy: -20.260
flat angles C4'-P-C4' energy: -22.688
flat angles P-C4'-P energy: -17.120
tors. eta vs tors. theta energy: -27.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -326.567638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.567638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.567638 (E_RNA)
where:
Base-Base interactions energy: -229.633
where: short stacking energy: -89.413
Base-Backbone interact. energy: -0.692
local terms energy: -96.242078
where:
bonds (distance) C4'-P energy: -14.569
bonds (distance) P-C4' energy: -23.258
flat angles C4'-P-C4' energy: -19.472
flat angles P-C4'-P energy: -13.197
tors. eta vs tors. theta energy: -25.746
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: 6
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -286.658284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.658284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.658284 (E_RNA)
where:
Base-Base interactions energy: -188.579
where: short stacking energy: -75.098
Base-Backbone interact. energy: -0.723
local terms energy: -97.356148
where:
bonds (distance) C4'-P energy: -13.728
bonds (distance) P-C4' energy: -22.836
flat angles C4'-P-C4' energy: -23.985
flat angles P-C4'-P energy: -11.455
tors. eta vs tors. theta energy: -25.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -260.783587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.783587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.783587 (E_RNA)
where:
Base-Base interactions energy: -177.264
where: short stacking energy: -74.722
Base-Backbone interact. energy: 0.585
local terms energy: -84.105311
where:
bonds (distance) C4'-P energy: -18.348
bonds (distance) P-C4' energy: -20.633
flat angles C4'-P-C4' energy: -17.031
flat angles P-C4'-P energy: -9.643
tors. eta vs tors. theta energy: -18.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -210.343677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.343677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.343677 (E_RNA)
where:
Base-Base interactions energy: -135.271
where: short stacking energy: -63.439
Base-Backbone interact. energy: -0.139
local terms energy: -74.933634
where:
bonds (distance) C4'-P energy: -16.352
bonds (distance) P-C4' energy: -17.893
flat angles C4'-P-C4' energy: -15.571
flat angles P-C4'-P energy: -10.868
tors. eta vs tors. theta energy: -14.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -193.319367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.319367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.319367 (E_RNA)
where:
Base-Base interactions energy: -112.336
where: short stacking energy: -47.071
Base-Backbone interact. energy: -0.308
local terms energy: -80.675043
where:
bonds (distance) C4'-P energy: -19.659
bonds (distance) P-C4' energy: -23.459
flat angles C4'-P-C4' energy: -16.691
flat angles P-C4'-P energy: -12.914
tors. eta vs tors. theta energy: -7.952
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: 4
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -104.121629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.121629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.121629 (E_RNA)
where:
Base-Base interactions energy: -34.343
where: short stacking energy: -27.374
Base-Backbone interact. energy: -0.506
local terms energy: -69.272579
where:
bonds (distance) C4'-P energy: -19.739
bonds (distance) P-C4' energy: -21.582
flat angles C4'-P-C4' energy: -16.988
flat angles P-C4'-P energy: -10.726
tors. eta vs tors. theta energy: -0.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -103.003689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.003689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.003689 (E_RNA)
where:
Base-Base interactions energy: -36.955
where: short stacking energy: -36.955
Base-Backbone interact. energy: -0.102
local terms energy: -65.946764
where:
bonds (distance) C4'-P energy: -17.938
bonds (distance) P-C4' energy: -16.539
flat angles C4'-P-C4' energy: -20.894
flat angles P-C4'-P energy: -4.544
tors. eta vs tors. theta energy: -6.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -103.610787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.610787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.610787 (E_RNA)
where:
Base-Base interactions energy: -43.074
where: short stacking energy: -21.607
Base-Backbone interact. energy: 0.353
local terms energy: -60.890106
where:
bonds (distance) C4'-P energy: -20.511
bonds (distance) P-C4' energy: -12.976
flat angles C4'-P-C4' energy: -12.260
flat angles P-C4'-P energy: -10.130
tors. eta vs tors. theta energy: -5.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -335.053345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.053345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.053345 (E_RNA)
where:
Base-Base interactions energy: -233.955
where: short stacking energy: -98.045
Base-Backbone interact. energy: 1.262
local terms energy: -102.360809
where:
bonds (distance) C4'-P energy: -19.314
bonds (distance) P-C4' energy: -17.040
flat angles C4'-P-C4' energy: -25.684
flat angles P-C4'-P energy: -14.121
tors. eta vs tors. theta energy: -26.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -321.579106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.579106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.579106 (E_RNA)
where:
Base-Base interactions energy: -223.562
where: short stacking energy: -97.700
Base-Backbone interact. energy: -0.075
local terms energy: -97.942126
where:
bonds (distance) C4'-P energy: -20.465
bonds (distance) P-C4' energy: -16.208
flat angles C4'-P-C4' energy: -22.437
flat angles P-C4'-P energy: -11.204
tors. eta vs tors. theta energy: -27.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -321.863358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.863358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.863358 (E_RNA)
where:
Base-Base interactions energy: -221.671
where: short stacking energy: -99.318
Base-Backbone interact. energy: -0.441
local terms energy: -99.751476
where:
bonds (distance) C4'-P energy: -16.887
bonds (distance) P-C4' energy: -14.950
flat angles C4'-P-C4' energy: -21.454
flat angles P-C4'-P energy: -17.324
tors. eta vs tors. theta energy: -29.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -289.145459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.145459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.145459 (E_RNA)
where:
Base-Base interactions energy: -194.183
where: short stacking energy: -86.470
Base-Backbone interact. energy: 0.293
local terms energy: -95.255282
where:
bonds (distance) C4'-P energy: -19.751
bonds (distance) P-C4' energy: -19.383
flat angles C4'-P-C4' energy: -21.278
flat angles P-C4'-P energy: -12.393
tors. eta vs tors. theta energy: -22.450
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: 10
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -266.422525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.422525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.422525 (E_RNA)
where:
Base-Base interactions energy: -183.551
where: short stacking energy: -75.455
Base-Backbone interact. energy: 2.021
local terms energy: -84.892499
where:
bonds (distance) C4'-P energy: -17.856
bonds (distance) P-C4' energy: -17.607
flat angles C4'-P-C4' energy: -13.011
flat angles P-C4'-P energy: -18.325
tors. eta vs tors. theta energy: -18.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -214.037503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.037503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.037503 (E_RNA)
where:
Base-Base interactions energy: -130.242
where: short stacking energy: -65.084
Base-Backbone interact. energy: -0.009
local terms energy: -83.785643
where:
bonds (distance) C4'-P energy: -16.166
bonds (distance) P-C4' energy: -21.185
flat angles C4'-P-C4' energy: -20.598
flat angles P-C4'-P energy: -11.963
tors. eta vs tors. theta energy: -13.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -208.059421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.059421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.059421 (E_RNA)
where:
Base-Base interactions energy: -131.575
where: short stacking energy: -64.187
Base-Backbone interact. energy: -0.245
local terms energy: -76.239223
where:
bonds (distance) C4'-P energy: -15.401
bonds (distance) P-C4' energy: -19.855
flat angles C4'-P-C4' energy: -15.667
flat angles P-C4'-P energy: -11.701
tors. eta vs tors. theta energy: -13.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -109.989955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.989955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.989955 (E_RNA)
where:
Base-Base interactions energy: -47.510
where: short stacking energy: -40.076
Base-Backbone interact. energy: 1.561
local terms energy: -64.040665
where:
bonds (distance) C4'-P energy: -17.648
bonds (distance) P-C4' energy: -16.144
flat angles C4'-P-C4' energy: -11.466
flat angles P-C4'-P energy: -10.863
tors. eta vs tors. theta energy: -7.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -110.658610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.658610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.658610 (E_RNA)
where:
Base-Base interactions energy: -55.318
where: short stacking energy: -39.536
Base-Backbone interact. energy: -0.135
local terms energy: -55.205755
where:
bonds (distance) C4'-P energy: -15.252
bonds (distance) P-C4' energy: -16.527
flat angles C4'-P-C4' energy: -15.075
flat angles P-C4'-P energy: -5.223
tors. eta vs tors. theta energy: -3.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -93.463295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.463295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.463295 (E_RNA)
where:
Base-Base interactions energy: -30.176
where: short stacking energy: -29.445
Base-Backbone interact. energy: -0.187
local terms energy: -63.100726
where:
bonds (distance) C4'-P energy: -16.349
bonds (distance) P-C4' energy: -14.907
flat angles C4'-P-C4' energy: -18.832
flat angles P-C4'-P energy: -10.868
tors. eta vs tors. theta energy: -2.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -337.880849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.880849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.880849 (E_RNA)
where:
Base-Base interactions energy: -239.532
where: short stacking energy: -94.577
Base-Backbone interact. energy: 1.181
local terms energy: -99.530576
where:
bonds (distance) C4'-P energy: -22.327
bonds (distance) P-C4' energy: -16.139
flat angles C4'-P-C4' energy: -21.889
flat angles P-C4'-P energy: -12.116
tors. eta vs tors. theta energy: -27.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -323.047760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.047760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.047760 (E_RNA)
where:
Base-Base interactions energy: -220.140
where: short stacking energy: -100.670
Base-Backbone interact. energy: -0.095
local terms energy: -102.812532
where:
bonds (distance) C4'-P energy: -20.450
bonds (distance) P-C4' energy: -17.294
flat angles C4'-P-C4' energy: -22.715
flat angles P-C4'-P energy: -14.520
tors. eta vs tors. theta energy: -27.833
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: 7
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -314.752024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.752024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.752024 (E_RNA)
where:
Base-Base interactions energy: -215.281
where: short stacking energy: -97.163
Base-Backbone interact. energy: -0.109
local terms energy: -99.361645
where:
bonds (distance) C4'-P energy: -20.134
bonds (distance) P-C4' energy: -15.613
flat angles C4'-P-C4' energy: -21.950
flat angles P-C4'-P energy: -14.417
tors. eta vs tors. theta energy: -27.248
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: 6
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -297.292575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.292575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.292575 (E_RNA)
where:
Base-Base interactions energy: -199.347
where: short stacking energy: -80.989
Base-Backbone interact. energy: -0.002
local terms energy: -97.944074
where:
bonds (distance) C4'-P energy: -20.949
bonds (distance) P-C4' energy: -23.357
flat angles C4'-P-C4' energy: -22.457
flat angles P-C4'-P energy: -9.203
tors. eta vs tors. theta energy: -21.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -280.804709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.804709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.804709 (E_RNA)
where:
Base-Base interactions energy: -199.175
where: short stacking energy: -73.207
Base-Backbone interact. energy: -0.128
local terms energy: -81.501431
where:
bonds (distance) C4'-P energy: -8.040
bonds (distance) P-C4' energy: -20.546
flat angles C4'-P-C4' energy: -19.662
flat angles P-C4'-P energy: -11.611
tors. eta vs tors. theta energy: -21.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -217.898886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.898886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.898886 (E_RNA)
where:
Base-Base interactions energy: -135.670
where: short stacking energy: -61.310
Base-Backbone interact. energy: -0.270
local terms energy: -81.958638
where:
bonds (distance) C4'-P energy: -18.978
bonds (distance) P-C4' energy: -19.292
flat angles C4'-P-C4' energy: -19.312
flat angles P-C4'-P energy: -7.091
tors. eta vs tors. theta energy: -17.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -205.480253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.480253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.480253 (E_RNA)
where:
Base-Base interactions energy: -130.318
where: short stacking energy: -54.937
Base-Backbone interact. energy: -0.229
local terms energy: -74.933080
where:
bonds (distance) C4'-P energy: -19.508
bonds (distance) P-C4' energy: -21.665
flat angles C4'-P-C4' energy: -16.157
flat angles P-C4'-P energy: -5.809
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: 8, replica: 9
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -115.982878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.982878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.982878 (E_RNA)
where:
Base-Base interactions energy: -46.376
where: short stacking energy: -46.376
Base-Backbone interact. energy: -0.229
local terms energy: -69.378252
where:
bonds (distance) C4'-P energy: -18.199
bonds (distance) P-C4' energy: -15.454
flat angles C4'-P-C4' energy: -14.752
flat angles P-C4'-P energy: -9.475
tors. eta vs tors. theta energy: -11.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -113.161931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.161931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.161931 (E_RNA)
where:
Base-Base interactions energy: -46.511
where: short stacking energy: -43.508
Base-Backbone interact. energy: -0.045
local terms energy: -66.606131
where:
bonds (distance) C4'-P energy: -19.144
bonds (distance) P-C4' energy: -15.009
flat angles C4'-P-C4' energy: -17.271
flat angles P-C4'-P energy: -10.762
tors. eta vs tors. theta energy: -4.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -98.399045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.399045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.399045 (E_RNA)
where:
Base-Base interactions energy: -34.625
where: short stacking energy: -29.395
Base-Backbone interact. energy: -0.807
local terms energy: -62.967420
where:
bonds (distance) C4'-P energy: -17.513
bonds (distance) P-C4' energy: -22.233
flat angles C4'-P-C4' energy: -12.045
flat angles P-C4'-P energy: -12.908
tors. eta vs tors. theta energy: 1.731
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: 352
Temperature: 0.900000
Total energy: -331.587803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.587803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.587803 (E_RNA)
where:
Base-Base interactions energy: -225.096
where: short stacking energy: -102.684
Base-Backbone interact. energy: -0.101
local terms energy: -106.390636
where:
bonds (distance) C4'-P energy: -19.167
bonds (distance) P-C4' energy: -20.153
flat angles C4'-P-C4' energy: -23.945
flat angles P-C4'-P energy: -16.013
tors. eta vs tors. theta energy: -27.112
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: 2
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -325.337637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.337637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.337637 (E_RNA)
where:
Base-Base interactions energy: -229.742
where: short stacking energy: -98.788
Base-Backbone interact. energy: 2.427
local terms energy: -98.022468
where:
bonds (distance) C4'-P energy: -16.427
bonds (distance) P-C4' energy: -17.768
flat angles C4'-P-C4' energy: -19.570
flat angles P-C4'-P energy: -15.690
tors. eta vs tors. theta energy: -28.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -315.158767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.158767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.158767 (E_RNA)
where:
Base-Base interactions energy: -219.196
where: short stacking energy: -92.871
Base-Backbone interact. energy: -0.276
local terms energy: -95.686969
where:
bonds (distance) C4'-P energy: -19.487
bonds (distance) P-C4' energy: -15.940
flat angles C4'-P-C4' energy: -21.527
flat angles P-C4'-P energy: -15.549
tors. eta vs tors. theta energy: -23.183
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: 6
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -286.056020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.056020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.056020 (E_RNA)
where:
Base-Base interactions energy: -192.950
where: short stacking energy: -83.660
Base-Backbone interact. energy: -0.056
local terms energy: -93.049693
where:
bonds (distance) C4'-P energy: -19.047
bonds (distance) P-C4' energy: -17.417
flat angles C4'-P-C4' energy: -20.483
flat angles P-C4'-P energy: -14.971
tors. eta vs tors. theta energy: -21.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -284.639418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.639418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.639418 (E_RNA)
where:
Base-Base interactions energy: -190.649
where: short stacking energy: -82.143
Base-Backbone interact. energy: 0.031
local terms energy: -94.022326
where:
bonds (distance) C4'-P energy: -20.171
bonds (distance) P-C4' energy: -14.556
flat angles C4'-P-C4' energy: -21.088
flat angles P-C4'-P energy: -14.872
tors. eta vs tors. theta energy: -23.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -200.461761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.461761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.461761 (E_RNA)
where:
Base-Base interactions energy: -124.618
where: short stacking energy: -56.543
Base-Backbone interact. energy: 4.213
local terms energy: -80.056961
where:
bonds (distance) C4'-P energy: -16.900
bonds (distance) P-C4' energy: -20.341
flat angles C4'-P-C4' energy: -18.165
flat angles P-C4'-P energy: -12.833
tors. eta vs tors. theta energy: -11.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -200.960553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.960553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.960553 (E_RNA)
where:
Base-Base interactions energy: -113.222
where: short stacking energy: -48.150
Base-Backbone interact. energy: 0.114
local terms energy: -87.852093
where:
bonds (distance) C4'-P energy: -19.639
bonds (distance) P-C4' energy: -19.868
flat angles C4'-P-C4' energy: -19.455
flat angles P-C4'-P energy: -12.492
tors. eta vs tors. theta energy: -16.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -108.272176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.272176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.272176 (E_RNA)
where:
Base-Base interactions energy: -51.482
where: short stacking energy: -49.912
Base-Backbone interact. energy: -0.223
local terms energy: -56.566701
where:
bonds (distance) C4'-P energy: -11.999
bonds (distance) P-C4' energy: -11.376
flat angles C4'-P-C4' energy: -15.931
flat angles P-C4'-P energy: -10.368
tors. eta vs tors. theta energy: -6.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -100.038522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.038522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.038522 (E_RNA)
where:
Base-Base interactions energy: -36.902
where: short stacking energy: -30.644
Base-Backbone interact. energy: -0.336
local terms energy: -62.801142
where:
bonds (distance) C4'-P energy: -18.543
bonds (distance) P-C4' energy: -18.930
flat angles C4'-P-C4' energy: -14.844
flat angles P-C4'-P energy: -9.312
tors. eta vs tors. theta energy: -1.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -115.189745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.189745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.189745 (E_RNA)
where:
Base-Base interactions energy: -56.748
where: short stacking energy: -35.086
Base-Backbone interact. energy: -0.755
local terms energy: -57.686921
where:
bonds (distance) C4'-P energy: -14.417
bonds (distance) P-C4' energy: -19.863
flat angles C4'-P-C4' energy: -14.661
flat angles P-C4'-P energy: -3.496
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: 1, replica: 3
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -326.251108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.251108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.251108 (E_RNA)
where:
Base-Base interactions energy: -225.789
where: short stacking energy: -98.742
Base-Backbone interact. energy: -0.607
local terms energy: -99.854543
where:
bonds (distance) C4'-P energy: -19.366
bonds (distance) P-C4' energy: -20.206
flat angles C4'-P-C4' energy: -20.500
flat angles P-C4'-P energy: -13.175
tors. eta vs tors. theta energy: -26.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -317.602822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.602822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.602822 (E_RNA)
where:
Base-Base interactions energy: -215.339
where: short stacking energy: -93.519
Base-Backbone interact. energy: 0.754
local terms energy: -103.017491
where:
bonds (distance) C4'-P energy: -16.043
bonds (distance) P-C4' energy: -24.060
flat angles C4'-P-C4' energy: -22.616
flat angles P-C4'-P energy: -16.286
tors. eta vs tors. theta energy: -24.011
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: 7
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -317.797803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.797803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.797803 (E_RNA)
where:
Base-Base interactions energy: -212.767
where: short stacking energy: -93.886
Base-Backbone interact. energy: -0.747
local terms energy: -104.283211
where:
bonds (distance) C4'-P energy: -18.038
bonds (distance) P-C4' energy: -22.874
flat angles C4'-P-C4' energy: -22.015
flat angles P-C4'-P energy: -10.161
tors. eta vs tors. theta energy: -31.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -291.859546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.859546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.859546 (E_RNA)
where:
Base-Base interactions energy: -195.886
where: short stacking energy: -87.639
Base-Backbone interact. energy: 1.679
local terms energy: -97.653173
where:
bonds (distance) C4'-P energy: -19.677
bonds (distance) P-C4' energy: -20.968
flat angles C4'-P-C4' energy: -19.189
flat angles P-C4'-P energy: -11.745
tors. eta vs tors. theta energy: -26.074
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: 5, replica: 10
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -263.103595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.103595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.103595 (E_RNA)
where:
Base-Base interactions energy: -175.170
where: short stacking energy: -80.492
Base-Backbone interact. energy: -0.057
local terms energy: -87.876125
where:
bonds (distance) C4'-P energy: -17.090
bonds (distance) P-C4' energy: -17.788
flat angles C4'-P-C4' energy: -16.431
flat angles P-C4'-P energy: -13.639
tors. eta vs tors. theta energy: -22.929
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: 5
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -207.378678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.378678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.378678 (E_RNA)
where:
Base-Base interactions energy: -127.359
where: short stacking energy: -51.582
Base-Backbone interact. energy: -0.334
local terms energy: -79.685541
where:
bonds (distance) C4'-P energy: -18.873
bonds (distance) P-C4' energy: -19.812
flat angles C4'-P-C4' energy: -18.268
flat angles P-C4'-P energy: -7.694
tors. eta vs tors. theta energy: -15.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -193.435185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.435185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.435185 (E_RNA)
where:
Base-Base interactions energy: -113.444
where: short stacking energy: -52.416
Base-Backbone interact. energy: -0.281
local terms energy: -79.709856
where:
bonds (distance) C4'-P energy: -17.578
bonds (distance) P-C4' energy: -21.095
flat angles C4'-P-C4' energy: -17.518
flat angles P-C4'-P energy: -15.977
tors. eta vs tors. theta energy: -7.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -104.931279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.931279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.931279 (E_RNA)
where:
Base-Base interactions energy: -42.528
where: short stacking energy: -42.988
Base-Backbone interact. energy: -0.801
local terms energy: -61.602382
where:
bonds (distance) C4'-P energy: -15.182
bonds (distance) P-C4' energy: -15.853
flat angles C4'-P-C4' energy: -13.960
flat angles P-C4'-P energy: -10.655
tors. eta vs tors. theta energy: -5.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -101.505490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.505490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.505490 (E_RNA)
where:
Base-Base interactions energy: -39.995
where: short stacking energy: -33.722
Base-Backbone interact. energy: -1.401
local terms energy: -60.109948
where:
bonds (distance) C4'-P energy: -15.952
bonds (distance) P-C4' energy: -18.310
flat angles C4'-P-C4' energy: -13.908
flat angles P-C4'-P energy: -10.199
tors. eta vs tors. theta energy: -1.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -105.207682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.207682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.207682 (E_RNA)
where:
Base-Base interactions energy: -43.688
where: short stacking energy: -32.318
Base-Backbone interact. energy: -1.679
local terms energy: -59.840564
where:
bonds (distance) C4'-P energy: -17.200
bonds (distance) P-C4' energy: -17.413
flat angles C4'-P-C4' energy: -18.738
flat angles P-C4'-P energy: -8.797
tors. eta vs tors. theta energy: 2.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -319.456205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.456205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.456205 (E_RNA)
where:
Base-Base interactions energy: -225.122
where: short stacking energy: -93.519
Base-Backbone interact. energy: 0.461
local terms energy: -94.795060
where:
bonds (distance) C4'-P energy: -19.785
bonds (distance) P-C4' energy: -18.319
flat angles C4'-P-C4' energy: -18.601
flat angles P-C4'-P energy: -14.175
tors. eta vs tors. theta energy: -23.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -322.178100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.178100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.178100 (E_RNA)
where:
Base-Base interactions energy: -223.898
where: short stacking energy: -96.234
Base-Backbone interact. energy: -0.175
local terms energy: -98.104977
where:
bonds (distance) C4'-P energy: -19.065
bonds (distance) P-C4' energy: -16.936
flat angles C4'-P-C4' energy: -21.890
flat angles P-C4'-P energy: -16.971
tors. eta vs tors. theta energy: -23.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -309.791862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.791862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.791862 (E_RNA)
where:
Base-Base interactions energy: -215.136
where: short stacking energy: -95.965
Base-Backbone interact. energy: -0.351
local terms energy: -94.305519
where:
bonds (distance) C4'-P energy: -12.756
bonds (distance) P-C4' energy: -20.726
flat angles C4'-P-C4' energy: -22.506
flat angles P-C4'-P energy: -10.606
tors. eta vs tors. theta energy: -27.711
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: 6
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -290.450182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.450182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.450182 (E_RNA)
where:
Base-Base interactions energy: -191.326
where: short stacking energy: -90.326
Base-Backbone interact. energy: -0.604
local terms energy: -98.519682
where:
bonds (distance) C4'-P energy: -21.710
bonds (distance) P-C4' energy: -19.252
flat angles C4'-P-C4' energy: -17.084
flat angles P-C4'-P energy: -10.034
tors. eta vs tors. theta energy: -30.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -269.417103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.417103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.417103 (E_RNA)
where:
Base-Base interactions energy: -177.501
where: short stacking energy: -67.355
Base-Backbone interact. energy: -0.063
local terms energy: -91.853244
where:
bonds (distance) C4'-P energy: -20.012
bonds (distance) P-C4' energy: -21.169
flat angles C4'-P-C4' energy: -18.226
flat angles P-C4'-P energy: -17.011
tors. eta vs tors. theta energy: -15.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -187.312188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.312188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.312188 (E_RNA)
where:
Base-Base interactions energy: -104.772
where: short stacking energy: -60.975
Base-Backbone interact. energy: -0.677
local terms energy: -81.862941
where:
bonds (distance) C4'-P energy: -18.915
bonds (distance) P-C4' energy: -21.776
flat angles C4'-P-C4' energy: -15.338
flat angles P-C4'-P energy: -14.720
tors. eta vs tors. theta energy: -11.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -191.604989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.604989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.604989 (E_RNA)
where:
Base-Base interactions energy: -115.216
where: short stacking energy: -64.188
Base-Backbone interact. energy: -0.216
local terms energy: -76.172726
where:
bonds (distance) C4'-P energy: -14.448
bonds (distance) P-C4' energy: -10.332
flat angles C4'-P-C4' energy: -22.644
flat angles P-C4'-P energy: -13.686
tors. eta vs tors. theta energy: -15.062
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: 8
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -117.186737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.186737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.186737 (E_RNA)
where:
Base-Base interactions energy: -44.192
where: short stacking energy: -44.192
Base-Backbone interact. energy: -0.063
local terms energy: -72.931617
where:
bonds (distance) C4'-P energy: -17.566
bonds (distance) P-C4' energy: -20.249
flat angles C4'-P-C4' energy: -17.992
flat angles P-C4'-P energy: -14.832
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: 9, replica: 4
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -106.035501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.035501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.035501 (E_RNA)
where:
Base-Base interactions energy: -32.077
where: short stacking energy: -31.464
Base-Backbone interact. energy: -0.956
local terms energy: -73.002996
where:
bonds (distance) C4'-P energy: -21.227
bonds (distance) P-C4' energy: -20.290
flat angles C4'-P-C4' energy: -18.271
flat angles P-C4'-P energy: -10.007
tors. eta vs tors. theta energy: -3.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -108.207093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.207093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.207093 (E_RNA)
where:
Base-Base interactions energy: -48.795
where: short stacking energy: -38.543
Base-Backbone interact. energy: -0.327
local terms energy: -59.084805
where:
bonds (distance) C4'-P energy: -16.084
bonds (distance) P-C4' energy: -20.013
flat angles C4'-P-C4' energy: -14.614
flat angles P-C4'-P energy: -7.580
tors. eta vs tors. theta energy: -0.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -339.238003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.238003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.238003 (E_RNA)
where:
Base-Base interactions energy: -231.931
where: short stacking energy: -100.918
Base-Backbone interact. energy: 1.347
local terms energy: -108.653833
where:
bonds (distance) C4'-P energy: -21.669
bonds (distance) P-C4' energy: -23.216
flat angles C4'-P-C4' energy: -22.539
flat angles P-C4'-P energy: -16.819
tors. eta vs tors. theta energy: -24.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -326.796635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.796635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.796635 (E_RNA)
where:
Base-Base interactions energy: -206.742
where: short stacking energy: -90.533
Base-Backbone interact. energy: -0.201
local terms energy: -119.853369
where:
bonds (distance) C4'-P energy: -21.523
bonds (distance) P-C4' energy: -25.343
flat angles C4'-P-C4' energy: -24.415
flat angles P-C4'-P energy: -21.604
tors. eta vs tors. theta energy: -26.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -308.183924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.183924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.183924 (E_RNA)
where:
Base-Base interactions energy: -209.650
where: short stacking energy: -86.592
Base-Backbone interact. energy: 0.442
local terms energy: -98.975599
where:
bonds (distance) C4'-P energy: -16.838
bonds (distance) P-C4' energy: -19.468
flat angles C4'-P-C4' energy: -21.975
flat angles P-C4'-P energy: -19.099
tors. eta vs tors. theta energy: -21.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -300.800675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.800675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.800675 (E_RNA)
where:
Base-Base interactions energy: -205.679
where: short stacking energy: -91.867
Base-Backbone interact. energy: -0.090
local terms energy: -95.031558
where:
bonds (distance) C4'-P energy: -15.529
bonds (distance) P-C4' energy: -18.164
flat angles C4'-P-C4' energy: -19.800
flat angles P-C4'-P energy: -14.569
tors. eta vs tors. theta energy: -26.969
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: 5, replica: 10
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -271.587527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.587527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.587527 (E_RNA)
where:
Base-Base interactions energy: -178.630
where: short stacking energy: -72.499
Base-Backbone interact. energy: -0.122
local terms energy: -92.835323
where:
bonds (distance) C4'-P energy: -23.075
bonds (distance) P-C4' energy: -19.281
flat angles C4'-P-C4' energy: -18.185
flat angles P-C4'-P energy: -13.662
tors. eta vs tors. theta energy: -18.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -196.430385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.430385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.430385 (E_RNA)
where:
Base-Base interactions energy: -113.369
where: short stacking energy: -63.216
Base-Backbone interact. energy: -0.278
local terms energy: -82.783242
where:
bonds (distance) C4'-P energy: -18.914
bonds (distance) P-C4' energy: -19.100
flat angles C4'-P-C4' energy: -20.576
flat angles P-C4'-P energy: -10.041
tors. eta vs tors. theta energy: -14.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -174.869670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.869670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.869670 (E_RNA)
where:
Base-Base interactions energy: -104.033
where: short stacking energy: -48.309
Base-Backbone interact. energy: -0.997
local terms energy: -69.839637
where:
bonds (distance) C4'-P energy: -19.804
bonds (distance) P-C4' energy: -19.000
flat angles C4'-P-C4' energy: -14.223
flat angles P-C4'-P energy: -7.744
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: 8, replica: 4
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -110.560105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.560105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.560105 (E_RNA)
where:
Base-Base interactions energy: -51.649
where: short stacking energy: -37.656
Base-Backbone interact. energy: -0.203
local terms energy: -58.708030
where:
bonds (distance) C4'-P energy: -17.807
bonds (distance) P-C4' energy: -15.676
flat angles C4'-P-C4' energy: -18.101
flat angles P-C4'-P energy: -7.756
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: 9, replica: 8
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -106.739061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.739061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.739061 (E_RNA)
where:
Base-Base interactions energy: -34.874
where: short stacking energy: -34.670
Base-Backbone interact. energy: -0.167
local terms energy: -71.697898
where:
bonds (distance) C4'-P energy: -17.231
bonds (distance) P-C4' energy: -20.107
flat angles C4'-P-C4' energy: -13.917
flat angles P-C4'-P energy: -14.540
tors. eta vs tors. theta energy: -5.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -96.529432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.529432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.529432 (E_RNA)
where:
Base-Base interactions energy: -48.506
where: short stacking energy: -23.376
Base-Backbone interact. energy: -0.305
local terms energy: -47.718503
where:
bonds (distance) C4'-P energy: -16.026
bonds (distance) P-C4' energy: -21.005
flat angles C4'-P-C4' energy: -11.014
flat angles P-C4'-P energy: -4.634
tors. eta vs tors. theta energy: 4.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -331.080020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.080020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.080020 (E_RNA)
where:
Base-Base interactions energy: -225.421
where: short stacking energy: -98.389
Base-Backbone interact. energy: 1.208
local terms energy: -106.867206
where:
bonds (distance) C4'-P energy: -19.243
bonds (distance) P-C4' energy: -20.532
flat angles C4'-P-C4' energy: -24.857
flat angles P-C4'-P energy: -13.357
tors. eta vs tors. theta energy: -28.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -319.816195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.816195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.816195 (E_RNA)
where:
Base-Base interactions energy: -214.071
where: short stacking energy: -96.981
Base-Backbone interact. energy: 0.210
local terms energy: -105.955169
where:
bonds (distance) C4'-P energy: -20.471
bonds (distance) P-C4' energy: -24.918
flat angles C4'-P-C4' energy: -19.896
flat angles P-C4'-P energy: -14.861
tors. eta vs tors. theta energy: -25.809
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: 3, replica: 6
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -302.390544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.390544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.390544 (E_RNA)
where:
Base-Base interactions energy: -203.998
where: short stacking energy: -86.332
Base-Backbone interact. energy: -0.064
local terms energy: -98.329472
where:
bonds (distance) C4'-P energy: -20.610
bonds (distance) P-C4' energy: -20.027
flat angles C4'-P-C4' energy: -20.031
flat angles P-C4'-P energy: -15.583
tors. eta vs tors. theta energy: -22.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -296.896104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.896104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.896104 (E_RNA)
where:
Base-Base interactions energy: -201.676
where: short stacking energy: -83.906
Base-Backbone interact. energy: -0.252
local terms energy: -94.967654
where:
bonds (distance) C4'-P energy: -16.615
bonds (distance) P-C4' energy: -19.012
flat angles C4'-P-C4' energy: -23.413
flat angles P-C4'-P energy: -15.954
tors. eta vs tors. theta energy: -19.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -283.991977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.991977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.991977 (E_RNA)
where:
Base-Base interactions energy: -189.821
where: short stacking energy: -73.472
Base-Backbone interact. energy: -0.468
local terms energy: -93.702835
where:
bonds (distance) C4'-P energy: -19.243
bonds (distance) P-C4' energy: -21.085
flat angles C4'-P-C4' energy: -25.028
flat angles P-C4'-P energy: -9.511
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: 6, replica: 1
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -203.456987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.456987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.456987 (E_RNA)
where:
Base-Base interactions energy: -125.442
where: short stacking energy: -57.202
Base-Backbone interact. energy: -0.101
local terms energy: -77.913714
where:
bonds (distance) C4'-P energy: -13.052
bonds (distance) P-C4' energy: -22.363
flat angles C4'-P-C4' energy: -16.035
flat angles P-C4'-P energy: -11.659
tors. eta vs tors. theta energy: -14.804
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: 4
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -128.177765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.177765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.177765 (E_RNA)
where:
Base-Base interactions energy: -53.870
where: short stacking energy: -31.586
Base-Backbone interact. energy: -0.152
local terms energy: -74.155221
where:
bonds (distance) C4'-P energy: -17.926
bonds (distance) P-C4' energy: -21.134
flat angles C4'-P-C4' energy: -22.398
flat angles P-C4'-P energy: -12.364
tors. eta vs tors. theta energy: -0.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -161.874357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.874357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.874357 (E_RNA)
where:
Base-Base interactions energy: -93.687
where: short stacking energy: -49.296
Base-Backbone interact. energy: 0.542
local terms energy: -68.729280
where:
bonds (distance) C4'-P energy: -16.067
bonds (distance) P-C4' energy: -13.448
flat angles C4'-P-C4' energy: -17.409
flat angles P-C4'-P energy: -12.957
tors. eta vs tors. theta energy: -8.848
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: 9
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -118.392709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.392709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.392709 (E_RNA)
where:
Base-Base interactions energy: -53.456
where: short stacking energy: -30.392
Base-Backbone interact. energy: -0.277
local terms energy: -64.659180
where:
bonds (distance) C4'-P energy: -19.552
bonds (distance) P-C4' energy: -16.928
flat angles C4'-P-C4' energy: -16.942
flat angles P-C4'-P energy: -10.124
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: 10, replica: 8
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -106.465441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.465441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.465441 (E_RNA)
where:
Base-Base interactions energy: -33.994
where: short stacking energy: -33.994
Base-Backbone interact. energy: 1.176
local terms energy: -73.647108
where:
bonds (distance) C4'-P energy: -19.017
bonds (distance) P-C4' energy: -12.091
flat angles C4'-P-C4' energy: -23.396
flat angles P-C4'-P energy: -15.723
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: 1, replica: 2
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -328.939856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.939856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.939856 (E_RNA)
where:
Base-Base interactions energy: -224.050
where: short stacking energy: -101.487
Base-Backbone interact. energy: 1.008
local terms energy: -105.897998
where:
bonds (distance) C4'-P energy: -21.313
bonds (distance) P-C4' energy: -19.506
flat angles C4'-P-C4' energy: -23.483
flat angles P-C4'-P energy: -14.773
tors. eta vs tors. theta energy: -26.823
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: 2, replica: 3
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -326.269935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.269935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.269935 (E_RNA)
where:
Base-Base interactions energy: -224.936
where: short stacking energy: -95.423
Base-Backbone interact. energy: 0.387
local terms energy: -101.720380
where:
bonds (distance) C4'-P energy: -21.645
bonds (distance) P-C4' energy: -15.604
flat angles C4'-P-C4' energy: -21.345
flat angles P-C4'-P energy: -15.463
tors. eta vs tors. theta energy: -27.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -298.162247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.162247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.162247 (E_RNA)
where:
Base-Base interactions energy: -205.290
where: short stacking energy: -84.733
Base-Backbone interact. energy: -0.380
local terms energy: -92.492233
where:
bonds (distance) C4'-P energy: -18.936
bonds (distance) P-C4' energy: -16.384
flat angles C4'-P-C4' energy: -18.912
flat angles P-C4'-P energy: -14.229
tors. eta vs tors. theta energy: -24.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -306.656813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.656813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.656813 (E_RNA)
where:
Base-Base interactions energy: -212.678
where: short stacking energy: -88.031
Base-Backbone interact. energy: -0.111
local terms energy: -93.868441
where:
bonds (distance) C4'-P energy: -20.849
bonds (distance) P-C4' energy: -17.645
flat angles C4'-P-C4' energy: -18.255
flat angles P-C4'-P energy: -15.068
tors. eta vs tors. theta energy: -22.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -267.865351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.865351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.865351 (E_RNA)
where:
Base-Base interactions energy: -189.892
where: short stacking energy: -79.142
Base-Backbone interact. energy: -0.061
local terms energy: -77.913125
where:
bonds (distance) C4'-P energy: -15.537
bonds (distance) P-C4' energy: -20.087
flat angles C4'-P-C4' energy: -19.512
flat angles P-C4'-P energy: -5.471
tors. eta vs tors. theta energy: -17.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -225.846739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.846739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.846739 (E_RNA)
where:
Base-Base interactions energy: -141.671
where: short stacking energy: -70.511
Base-Backbone interact. energy: -0.477
local terms energy: -83.698277
where:
bonds (distance) C4'-P energy: -21.738
bonds (distance) P-C4' energy: -18.158
flat angles C4'-P-C4' energy: -20.143
flat angles P-C4'-P energy: -5.860
tors. eta vs tors. theta energy: -17.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -121.543528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.543528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.543528 (E_RNA)
where:
Base-Base interactions energy: -53.696
where: short stacking energy: -37.992
Base-Backbone interact. energy: -0.053
local terms energy: -67.794163
where:
bonds (distance) C4'-P energy: -19.031
bonds (distance) P-C4' energy: -20.288
flat angles C4'-P-C4' energy: -13.393
flat angles P-C4'-P energy: -10.249
tors. eta vs tors. theta energy: -4.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -184.486673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.486673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.486673 (E_RNA)
where:
Base-Base interactions energy: -108.244
where: short stacking energy: -63.592
Base-Backbone interact. energy: -0.290
local terms energy: -75.952601
where:
bonds (distance) C4'-P energy: -20.034
bonds (distance) P-C4' energy: -21.547
flat angles C4'-P-C4' energy: -16.704
flat angles P-C4'-P energy: -6.080
tors. eta vs tors. theta energy: -11.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -110.567185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.567185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.567185 (E_RNA)
where:
Base-Base interactions energy: -48.903
where: short stacking energy: -34.121
Base-Backbone interact. energy: -0.616
local terms energy: -61.048693
where:
bonds (distance) C4'-P energy: -17.892
bonds (distance) P-C4' energy: -19.002
flat angles C4'-P-C4' energy: -11.251
flat angles P-C4'-P energy: -10.563
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: 10, replica: 8
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -104.452786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.452786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.452786 (E_RNA)
where:
Base-Base interactions energy: -42.711
where: short stacking energy: -42.711
Base-Backbone interact. energy: -1.191
local terms energy: -60.550527
where:
bonds (distance) C4'-P energy: -16.564
bonds (distance) P-C4' energy: -16.014
flat angles C4'-P-C4' energy: -11.433
flat angles P-C4'-P energy: -9.399
tors. eta vs tors. theta energy: -7.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -321.763471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.763471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.763471 (E_RNA)
where:
Base-Base interactions energy: -220.236
where: short stacking energy: -94.810
Base-Backbone interact. energy: -0.443
local terms energy: -101.084900
where:
bonds (distance) C4'-P energy: -16.556
bonds (distance) P-C4' energy: -20.479
flat angles C4'-P-C4' energy: -23.374
flat angles P-C4'-P energy: -14.981
tors. eta vs tors. theta energy: -25.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -330.733324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.733324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.733324 (E_RNA)
where:
Base-Base interactions energy: -219.854
where: short stacking energy: -100.670
Base-Backbone interact. energy: -0.057
local terms energy: -110.822619
where:
bonds (distance) C4'-P energy: -22.687
bonds (distance) P-C4' energy: -21.661
flat angles C4'-P-C4' energy: -22.072
flat angles P-C4'-P energy: -14.252
tors. eta vs tors. theta energy: -30.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -312.790228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.790228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.790228 (E_RNA)
where:
Base-Base interactions energy: -218.484
where: short stacking energy: -89.033
Base-Backbone interact. energy: -0.106
local terms energy: -94.200509
where:
bonds (distance) C4'-P energy: -16.377
bonds (distance) P-C4' energy: -20.396
flat angles C4'-P-C4' energy: -21.582
flat angles P-C4'-P energy: -11.470
tors. eta vs tors. theta energy: -24.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -290.814112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.814112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.814112 (E_RNA)
where:
Base-Base interactions energy: -195.401
where: short stacking energy: -87.692
Base-Backbone interact. energy: -0.015
local terms energy: -95.397693
where:
bonds (distance) C4'-P energy: -18.605
bonds (distance) P-C4' energy: -21.058
flat angles C4'-P-C4' energy: -20.456
flat angles P-C4'-P energy: -9.082
tors. eta vs tors. theta energy: -26.196
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: 5, replica: 10
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -279.792611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.792611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.792611 (E_RNA)
where:
Base-Base interactions energy: -191.428
where: short stacking energy: -77.730
Base-Backbone interact. energy: 1.870
local terms energy: -90.234814
where:
bonds (distance) C4'-P energy: -17.499
bonds (distance) P-C4' energy: -17.056
flat angles C4'-P-C4' energy: -19.887
flat angles P-C4'-P energy: -14.029
tors. eta vs tors. theta energy: -21.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -212.061641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.061641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.061641 (E_RNA)
where:
Base-Base interactions energy: -134.520
where: short stacking energy: -59.425
Base-Backbone interact. energy: -0.130
local terms energy: -77.411787
where:
bonds (distance) C4'-P energy: -17.935
bonds (distance) P-C4' energy: -18.894
flat angles C4'-P-C4' energy: -13.956
flat angles P-C4'-P energy: -14.244
tors. eta vs tors. theta energy: -12.383
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: 7, replica: 5
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -190.860497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.860497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.860497 (E_RNA)
where:
Base-Base interactions energy: -119.073
where: short stacking energy: -59.665
Base-Backbone interact. energy: -0.951
local terms energy: -70.836511
where:
bonds (distance) C4'-P energy: -17.438
bonds (distance) P-C4' energy: -18.604
flat angles C4'-P-C4' energy: -17.815
flat angles P-C4'-P energy: -6.441
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: 8, replica: 4
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -108.107006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.107006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.107006 (E_RNA)
where:
Base-Base interactions energy: -35.485
where: short stacking energy: -32.686
Base-Backbone interact. energy: -0.308
local terms energy: -72.313796
where:
bonds (distance) C4'-P energy: -18.100
bonds (distance) P-C4' energy: -20.059
flat angles C4'-P-C4' energy: -13.823
flat angles P-C4'-P energy: -16.153
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: 8
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -117.174663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.174663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.174663 (E_RNA)
where:
Base-Base interactions energy: -42.821
where: short stacking energy: -34.041
Base-Backbone interact. energy: -0.004
local terms energy: -74.349842
where:
bonds (distance) C4'-P energy: -16.822
bonds (distance) P-C4' energy: -20.000
flat angles C4'-P-C4' energy: -20.329
flat angles P-C4'-P energy: -12.308
tors. eta vs tors. theta energy: -4.892
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: 9
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -106.878335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.878335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.878335 (E_RNA)
where:
Base-Base interactions energy: -46.210
where: short stacking energy: -32.126
Base-Backbone interact. energy: 1.560
local terms energy: -62.227729
where:
bonds (distance) C4'-P energy: -14.368
bonds (distance) P-C4' energy: -16.885
flat angles C4'-P-C4' energy: -17.793
flat angles P-C4'-P energy: -10.264
tors. eta vs tors. theta energy: -2.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -328.300923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.300923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.300923 (E_RNA)
where:
Base-Base interactions energy: -223.932
where: short stacking energy: -96.788
Base-Backbone interact. energy: -0.083
local terms energy: -104.285506
where:
bonds (distance) C4'-P energy: -20.588
bonds (distance) P-C4' energy: -18.893
flat angles C4'-P-C4' energy: -24.442
flat angles P-C4'-P energy: -16.548
tors. eta vs tors. theta energy: -23.815
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: 7
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -323.684424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.684424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.684424 (E_RNA)
where:
Base-Base interactions energy: -221.691
where: short stacking energy: -92.422
Base-Backbone interact. energy: -1.129
local terms energy: -100.865138
where:
bonds (distance) C4'-P energy: -18.501
bonds (distance) P-C4' energy: -18.431
flat angles C4'-P-C4' energy: -23.990
flat angles P-C4'-P energy: -12.476
tors. eta vs tors. theta energy: -27.468
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: 2
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -322.319964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.319964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.319964 (E_RNA)
where:
Base-Base interactions energy: -217.417
where: short stacking energy: -96.669
Base-Backbone interact. energy: -0.368
local terms energy: -104.535626
where:
bonds (distance) C4'-P energy: -20.216
bonds (distance) P-C4' energy: -19.684
flat angles C4'-P-C4' energy: -22.920
flat angles P-C4'-P energy: -14.517
tors. eta vs tors. theta energy: -27.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -285.419565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.419565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.419565 (E_RNA)
where:
Base-Base interactions energy: -185.606
where: short stacking energy: -73.783
Base-Backbone interact. energy: -0.088
local terms energy: -99.725961
where:
bonds (distance) C4'-P energy: -19.421
bonds (distance) P-C4' energy: -20.273
flat angles C4'-P-C4' energy: -22.913
flat angles P-C4'-P energy: -13.514
tors. eta vs tors. theta energy: -23.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -271.714113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.714113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.714113 (E_RNA)
where:
Base-Base interactions energy: -188.996
where: short stacking energy: -73.675
Base-Backbone interact. energy: -0.250
local terms energy: -82.468251
where:
bonds (distance) C4'-P energy: -17.164
bonds (distance) P-C4' energy: -19.518
flat angles C4'-P-C4' energy: -16.463
flat angles P-C4'-P energy: -11.077
tors. eta vs tors. theta energy: -18.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -216.004928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.004928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.004928 (E_RNA)
where:
Base-Base interactions energy: -143.417
where: short stacking energy: -56.621
Base-Backbone interact. energy: -0.005
local terms energy: -72.583090
where:
bonds (distance) C4'-P energy: -20.132
bonds (distance) P-C4' energy: -20.725
flat angles C4'-P-C4' energy: -20.466
flat angles P-C4'-P energy: -2.306
tors. eta vs tors. theta energy: -8.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -204.935167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.935167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.935167 (E_RNA)
where:
Base-Base interactions energy: -126.578
where: short stacking energy: -53.809
Base-Backbone interact. energy: -0.555
local terms energy: -77.802476
where:
bonds (distance) C4'-P energy: -21.406
bonds (distance) P-C4' energy: -14.399
flat angles C4'-P-C4' energy: -17.018
flat angles P-C4'-P energy: -11.337
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: 8, replica: 8
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -114.652377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.652377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.652377 (E_RNA)
where:
Base-Base interactions energy: -54.400
where: short stacking energy: -50.840
Base-Backbone interact. energy: -0.447
local terms energy: -59.804898
where:
bonds (distance) C4'-P energy: -18.303
bonds (distance) P-C4' energy: -17.032
flat angles C4'-P-C4' energy: -18.476
flat angles P-C4'-P energy: -2.816
tors. eta vs tors. theta energy: -3.177
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: 4
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -114.961860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.961860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.961860 (E_RNA)
where:
Base-Base interactions energy: -36.754
where: short stacking energy: -33.038
Base-Backbone interact. energy: 1.111
local terms energy: -79.318892
where:
bonds (distance) C4'-P energy: -23.026
bonds (distance) P-C4' energy: -16.319
flat angles C4'-P-C4' energy: -20.222
flat angles P-C4'-P energy: -11.017
tors. eta vs tors. theta energy: -8.735
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: 10, replica: 9
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -101.416910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.416910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.416910 (E_RNA)
where:
Base-Base interactions energy: -42.468
where: short stacking energy: -37.150
Base-Backbone interact. energy: 0.338
local terms energy: -59.286291
where:
bonds (distance) C4'-P energy: -19.794
bonds (distance) P-C4' energy: -15.707
flat angles C4'-P-C4' energy: -12.556
flat angles P-C4'-P energy: -4.261
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: 1, replica: 7
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -322.615468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.615468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.615468 (E_RNA)
where:
Base-Base interactions energy: -220.239
where: short stacking energy: -94.692
Base-Backbone interact. energy: -0.714
local terms energy: -101.662000
where:
bonds (distance) C4'-P energy: -20.190
bonds (distance) P-C4' energy: -22.317
flat angles C4'-P-C4' energy: -20.795
flat angles P-C4'-P energy: -12.036
tors. eta vs tors. theta energy: -26.324
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: 3
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -319.570609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.570609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.570609 (E_RNA)
where:
Base-Base interactions energy: -220.502
where: short stacking energy: -96.037
Base-Backbone interact. energy: -0.723
local terms energy: -98.345093
where:
bonds (distance) C4'-P energy: -18.927
bonds (distance) P-C4' energy: -20.822
flat angles C4'-P-C4' energy: -19.509
flat angles P-C4'-P energy: -11.316
tors. eta vs tors. theta energy: -27.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -327.853755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.853755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.853755 (E_RNA)
where:
Base-Base interactions energy: -221.298
where: short stacking energy: -95.461
Base-Backbone interact. energy: -0.146
local terms energy: -106.409976
where:
bonds (distance) C4'-P energy: -20.113
bonds (distance) P-C4' energy: -20.606
flat angles C4'-P-C4' energy: -20.737
flat angles P-C4'-P energy: -15.966
tors. eta vs tors. theta energy: -28.988
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: 10
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -282.415327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.415327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.415327 (E_RNA)
where:
Base-Base interactions energy: -204.540
where: short stacking energy: -83.874
Base-Backbone interact. energy: 1.666
local terms energy: -79.540590
where:
bonds (distance) C4'-P energy: -13.670
bonds (distance) P-C4' energy: -19.980
flat angles C4'-P-C4' energy: -22.535
flat angles P-C4'-P energy: -6.008
tors. eta vs tors. theta energy: -17.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -230.853844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.853844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.853844 (E_RNA)
where:
Base-Base interactions energy: -139.486
where: short stacking energy: -79.834
Base-Backbone interact. energy: -0.170
local terms energy: -91.197250
where:
bonds (distance) C4'-P energy: -19.861
bonds (distance) P-C4' energy: -21.599
flat angles C4'-P-C4' energy: -20.999
flat angles P-C4'-P energy: -11.961
tors. eta vs tors. theta energy: -16.776
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: 6, replica: 6
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -264.410192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.410192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.410192 (E_RNA)
where:
Base-Base interactions energy: -176.066
where: short stacking energy: -75.971
Base-Backbone interact. energy: -0.137
local terms energy: -88.207364
where:
bonds (distance) C4'-P energy: -19.168
bonds (distance) P-C4' energy: -19.422
flat angles C4'-P-C4' energy: -17.391
flat angles P-C4'-P energy: -11.195
tors. eta vs tors. theta energy: -21.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -209.418961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.418961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.418961 (E_RNA)
where:
Base-Base interactions energy: -140.076
where: short stacking energy: -59.445
Base-Backbone interact. energy: -0.100
local terms energy: -69.242397
where:
bonds (distance) C4'-P energy: -14.929
bonds (distance) P-C4' energy: -12.729
flat angles C4'-P-C4' energy: -17.218
flat angles P-C4'-P energy: -6.705
tors. eta vs tors. theta energy: -17.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -114.266610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.266610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.266610 (E_RNA)
where:
Base-Base interactions energy: -47.835
where: short stacking energy: -37.195
Base-Backbone interact. energy: -0.408
local terms energy: -66.023489
where:
bonds (distance) C4'-P energy: -14.648
bonds (distance) P-C4' energy: -17.559
flat angles C4'-P-C4' energy: -21.776
flat angles P-C4'-P energy: -9.790
tors. eta vs tors. theta energy: -2.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -111.483450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.483450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.483450 (E_RNA)
where:
Base-Base interactions energy: -49.289
where: short stacking energy: -48.724
Base-Backbone interact. energy: 0.510
local terms energy: -62.703856
where:
bonds (distance) C4'-P energy: -16.639
bonds (distance) P-C4' energy: -13.430
flat angles C4'-P-C4' energy: -17.963
flat angles P-C4'-P energy: -10.384
tors. eta vs tors. theta energy: -4.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -94.258939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.258939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.258939 (E_RNA)
where:
Base-Base interactions energy: -30.758
where: short stacking energy: -27.594
Base-Backbone interact. energy: -0.233
local terms energy: -63.267873
where:
bonds (distance) C4'-P energy: -22.356
bonds (distance) P-C4' energy: -12.119
flat angles C4'-P-C4' energy: -12.235
flat angles P-C4'-P energy: -12.316
tors. eta vs tors. theta energy: -4.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -331.338746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.338746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.338746 (E_RNA)
where:
Base-Base interactions energy: -225.560
where: short stacking energy: -96.459
Base-Backbone interact. energy: -0.255
local terms energy: -105.523762
where:
bonds (distance) C4'-P energy: -18.927
bonds (distance) P-C4' energy: -24.016
flat angles C4'-P-C4' energy: -23.077
flat angles P-C4'-P energy: -12.164
tors. eta vs tors. theta energy: -27.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -306.751240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.751240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.751240 (E_RNA)
where:
Base-Base interactions energy: -203.433
where: short stacking energy: -92.950
Base-Backbone interact. energy: -1.494
local terms energy: -101.824215
where:
bonds (distance) C4'-P energy: -20.248
bonds (distance) P-C4' energy: -15.928
flat angles C4'-P-C4' energy: -20.603
flat angles P-C4'-P energy: -18.140
tors. eta vs tors. theta energy: -26.904
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: 3, replica: 2
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -321.161776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.161776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.161776 (E_RNA)
where:
Base-Base interactions energy: -218.175
where: short stacking energy: -90.765
Base-Backbone interact. energy: -0.238
local terms energy: -102.748288
where:
bonds (distance) C4'-P energy: -19.847
bonds (distance) P-C4' energy: -19.467
flat angles C4'-P-C4' energy: -21.674
flat angles P-C4'-P energy: -16.704
tors. eta vs tors. theta energy: -25.056
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: 10
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -295.352457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.352457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.352457 (E_RNA)
where:
Base-Base interactions energy: -211.340
where: short stacking energy: -88.037
Base-Backbone interact. energy: -0.862
local terms energy: -83.150494
where:
bonds (distance) C4'-P energy: -13.385
bonds (distance) P-C4' energy: -17.981
flat angles C4'-P-C4' energy: -19.872
flat angles P-C4'-P energy: -8.286
tors. eta vs tors. theta energy: -23.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -227.177600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.177600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.177600 (E_RNA)
where:
Base-Base interactions energy: -148.822
where: short stacking energy: -75.728
Base-Backbone interact. energy: 0.546
local terms energy: -78.900996
where:
bonds (distance) C4'-P energy: -17.517
bonds (distance) P-C4' energy: -19.906
flat angles C4'-P-C4' energy: -16.347
flat angles P-C4'-P energy: -5.856
tors. eta vs tors. theta energy: -19.274
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: 6
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -273.707947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.707947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.707947 (E_RNA)
where:
Base-Base interactions energy: -190.345
where: short stacking energy: -89.069
Base-Backbone interact. energy: -0.040
local terms energy: -83.322611
where:
bonds (distance) C4'-P energy: -15.985
bonds (distance) P-C4' energy: -10.914
flat angles C4'-P-C4' energy: -20.291
flat angles P-C4'-P energy: -12.352
tors. eta vs tors. theta energy: -23.781
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: 361
Temperature: 1.200000
Total energy: -204.894263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.894263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.894263 (E_RNA)
where:
Base-Base interactions energy: -133.128
where: short stacking energy: -59.096
Base-Backbone interact. energy: 0.009
local terms energy: -71.774910
where:
bonds (distance) C4'-P energy: -12.443
bonds (distance) P-C4' energy: -18.767
flat angles C4'-P-C4' energy: -20.251
flat angles P-C4'-P energy: -3.945
tors. eta vs tors. theta energy: -16.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -107.497499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.497499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.497499 (E_RNA)
where:
Base-Base interactions energy: -44.612
where: short stacking energy: -35.127
Base-Backbone interact. energy: -0.121
local terms energy: -62.764449
where:
bonds (distance) C4'-P energy: -16.030
bonds (distance) P-C4' energy: -22.342
flat angles C4'-P-C4' energy: -20.153
flat angles P-C4'-P energy: -5.021
tors. eta vs tors. theta energy: 0.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -115.987488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.987488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.987488 (E_RNA)
where:
Base-Base interactions energy: -55.111
where: short stacking energy: -36.599
Base-Backbone interact. energy: -0.746
local terms energy: -60.130384
where:
bonds (distance) C4'-P energy: -17.413
bonds (distance) P-C4' energy: -17.737
flat angles C4'-P-C4' energy: -16.081
flat angles P-C4'-P energy: -5.195
tors. eta vs tors. theta energy: -3.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -96.060261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.060261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.060261 (E_RNA)
where:
Base-Base interactions energy: -40.537
where: short stacking energy: -28.685
Base-Backbone interact. energy: -0.374
local terms energy: -55.149945
where:
bonds (distance) C4'-P energy: -14.849
bonds (distance) P-C4' energy: -16.646
flat angles C4'-P-C4' energy: -15.621
flat angles P-C4'-P energy: -10.526
tors. eta vs tors. theta energy: 2.492
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: 7
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -329.751291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.751291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.751291 (E_RNA)
where:
Base-Base interactions energy: -223.070
where: short stacking energy: -93.843
Base-Backbone interact. energy: -0.069
local terms energy: -106.612439
where:
bonds (distance) C4'-P energy: -20.467
bonds (distance) P-C4' energy: -19.655
flat angles C4'-P-C4' energy: -20.563
flat angles P-C4'-P energy: -17.689
tors. eta vs tors. theta energy: -28.238
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: 2, replica: 3
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -323.550642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.550642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.550642 (E_RNA)
where:
Base-Base interactions energy: -220.436
where: short stacking energy: -95.749
Base-Backbone interact. energy: 0.209
local terms energy: -103.323241
where:
bonds (distance) C4'-P energy: -18.623
bonds (distance) P-C4' energy: -20.162
flat angles C4'-P-C4' energy: -20.168
flat angles P-C4'-P energy: -14.890
tors. eta vs tors. theta energy: -29.481
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: 2
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -324.850008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.850008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.850008 (E_RNA)
where:
Base-Base interactions energy: -217.265
where: short stacking energy: -95.942
Base-Backbone interact. energy: -0.154
local terms energy: -107.431606
where:
bonds (distance) C4'-P energy: -21.689
bonds (distance) P-C4' energy: -19.050
flat angles C4'-P-C4' energy: -23.202
flat angles P-C4'-P energy: -15.190
tors. eta vs tors. theta energy: -28.301
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: 10
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -290.390519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.390519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.390519 (E_RNA)
where:
Base-Base interactions energy: -207.695
where: short stacking energy: -83.013
Base-Backbone interact. energy: -0.145
local terms energy: -82.550690
where:
bonds (distance) C4'-P energy: -12.683
bonds (distance) P-C4' energy: -20.984
flat angles C4'-P-C4' energy: -22.283
flat angles P-C4'-P energy: -7.753
tors. eta vs tors. theta energy: -18.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -273.453457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.453457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.453457 (E_RNA)
where:
Base-Base interactions energy: -183.359
where: short stacking energy: -81.924
Base-Backbone interact. energy: -0.065
local terms energy: -90.028876
where:
bonds (distance) C4'-P energy: -18.041
bonds (distance) P-C4' energy: -17.451
flat angles C4'-P-C4' energy: -22.377
flat angles P-C4'-P energy: -14.063
tors. eta vs tors. theta energy: -18.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -249.422853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.422853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.422853 (E_RNA)
where:
Base-Base interactions energy: -168.870
where: short stacking energy: -79.491
Base-Backbone interact. energy: 0.392
local terms energy: -80.944968
where:
bonds (distance) C4'-P energy: -16.209
bonds (distance) P-C4' energy: -19.375
flat angles C4'-P-C4' energy: -20.736
flat angles P-C4'-P energy: -9.296
tors. eta vs tors. theta energy: -15.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -173.570780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.570780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.570780 (E_RNA)
where:
Base-Base interactions energy: -105.088
where: short stacking energy: -49.689
Base-Backbone interact. energy: -1.295
local terms energy: -67.187445
where:
bonds (distance) C4'-P energy: -12.190
bonds (distance) P-C4' energy: -20.239
flat angles C4'-P-C4' energy: -16.478
flat angles P-C4'-P energy: -11.816
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: 8, replica: 9
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -146.073807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.073807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.073807 (E_RNA)
where:
Base-Base interactions energy: -80.087
where: short stacking energy: -45.169
Base-Backbone interact. energy: -0.242
local terms energy: -65.745079
where:
bonds (distance) C4'-P energy: -15.161
bonds (distance) P-C4' energy: -18.794
flat angles C4'-P-C4' energy: -17.114
flat angles P-C4'-P energy: -13.194
tors. eta vs tors. theta energy: -1.483
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: 362
Temperature: 1.300000
Total energy: -107.175167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.175167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.175167 (E_RNA)
where:
Base-Base interactions energy: -39.834
where: short stacking energy: -21.831
Base-Backbone interact. energy: -0.624
local terms energy: -66.717122
where:
bonds (distance) C4'-P energy: -20.827
bonds (distance) P-C4' energy: -15.986
flat angles C4'-P-C4' energy: -18.442
flat angles P-C4'-P energy: -12.140
tors. eta vs tors. theta energy: 0.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -110.363491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.363491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.363491 (E_RNA)
where:
Base-Base interactions energy: -43.752
where: short stacking energy: -40.326
Base-Backbone interact. energy: -0.656
local terms energy: -65.955340
where:
bonds (distance) C4'-P energy: -17.828
bonds (distance) P-C4' energy: -18.570
flat angles C4'-P-C4' energy: -12.981
flat angles P-C4'-P energy: -10.743
tors. eta vs tors. theta energy: -5.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -331.131112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.131112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.131112 (E_RNA)
where:
Base-Base interactions energy: -225.189
where: short stacking energy: -97.789
Base-Backbone interact. energy: -0.852
local terms energy: -105.089432
where:
bonds (distance) C4'-P energy: -16.371
bonds (distance) P-C4' energy: -24.364
flat angles C4'-P-C4' energy: -21.110
flat angles P-C4'-P energy: -16.798
tors. eta vs tors. theta energy: -26.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -327.240963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.240963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.240963 (E_RNA)
where:
Base-Base interactions energy: -219.763
where: short stacking energy: -95.063
Base-Backbone interact. energy: -0.314
local terms energy: -107.164270
where:
bonds (distance) C4'-P energy: -22.918
bonds (distance) P-C4' energy: -18.690
flat angles C4'-P-C4' energy: -25.091
flat angles P-C4'-P energy: -13.061
tors. eta vs tors. theta energy: -27.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -316.565919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.565919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.565919 (E_RNA)
where:
Base-Base interactions energy: -224.549
where: short stacking energy: -95.843
Base-Backbone interact. energy: -0.110
local terms energy: -91.906607
where:
bonds (distance) C4'-P energy: -14.637
bonds (distance) P-C4' energy: -19.514
flat angles C4'-P-C4' energy: -17.356
flat angles P-C4'-P energy: -13.875
tors. eta vs tors. theta energy: -26.525
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: 363
Temperature: 1.050000
Total energy: -301.021340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.021340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.021340 (E_RNA)
where:
Base-Base interactions energy: -205.514
where: short stacking energy: -83.267
Base-Backbone interact. energy: -0.081
local terms energy: -95.426567
where:
bonds (distance) C4'-P energy: -20.974
bonds (distance) P-C4' energy: -21.188
flat angles C4'-P-C4' energy: -16.903
flat angles P-C4'-P energy: -13.351
tors. eta vs tors. theta energy: -23.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -286.946390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.946390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.946390 (E_RNA)
where:
Base-Base interactions energy: -188.062
where: short stacking energy: -85.503
Base-Backbone interact. energy: -0.026
local terms energy: -98.858132
where:
bonds (distance) C4'-P energy: -21.933
bonds (distance) P-C4' energy: -21.914
flat angles C4'-P-C4' energy: -20.516
flat angles P-C4'-P energy: -13.691
tors. eta vs tors. theta energy: -20.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -245.381402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.381402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.381402 (E_RNA)
where:
Base-Base interactions energy: -155.743
where: short stacking energy: -76.184
Base-Backbone interact. energy: -0.361
local terms energy: -89.277190
where:
bonds (distance) C4'-P energy: -22.016
bonds (distance) P-C4' energy: -19.927
flat angles C4'-P-C4' energy: -14.405
flat angles P-C4'-P energy: -12.667
tors. eta vs tors. theta energy: -20.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -189.322389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.322389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.322389 (E_RNA)
where:
Base-Base interactions energy: -114.817
where: short stacking energy: -63.040
Base-Backbone interact. energy: -0.143
local terms energy: -74.362668
where:
bonds (distance) C4'-P energy: -16.808
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -16.641
flat angles P-C4'-P energy: -12.829
tors. eta vs tors. theta energy: -14.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -117.940207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.940207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.940207 (E_RNA)
where:
Base-Base interactions energy: -42.819
where: short stacking energy: -36.629
Base-Backbone interact. energy: -0.169
local terms energy: -74.951452
where:
bonds (distance) C4'-P energy: -20.538
bonds (distance) P-C4' energy: -18.721
flat angles C4'-P-C4' energy: -18.352
flat angles P-C4'-P energy: -13.381
tors. eta vs tors. theta energy: -3.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -100.991434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.991434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.991434 (E_RNA)
where:
Base-Base interactions energy: -37.586
where: short stacking energy: -37.586
Base-Backbone interact. energy: -0.314
local terms energy: -63.091537
where:
bonds (distance) C4'-P energy: -18.034
bonds (distance) P-C4' energy: -21.068
flat angles C4'-P-C4' energy: -10.843
flat angles P-C4'-P energy: -12.491
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: 10, replica: 4
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -98.679187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.679187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.679187 (E_RNA)
where:
Base-Base interactions energy: -37.953
where: short stacking energy: -36.897
Base-Backbone interact. energy: -1.045
local terms energy: -59.681443
where:
bonds (distance) C4'-P energy: -14.285
bonds (distance) P-C4' energy: -17.439
flat angles C4'-P-C4' energy: -10.903
flat angles P-C4'-P energy: -15.496
tors. eta vs tors. theta energy: -1.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -328.578790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.578790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.578790 (E_RNA)
where:
Base-Base interactions energy: -226.099
where: short stacking energy: -101.786
Base-Backbone interact. energy: -0.173
local terms energy: -102.306781
where:
bonds (distance) C4'-P energy: -15.736
bonds (distance) P-C4' energy: -20.227
flat angles C4'-P-C4' energy: -24.481
flat angles P-C4'-P energy: -15.650
tors. eta vs tors. theta energy: -26.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -326.236866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.236866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.236866 (E_RNA)
where:
Base-Base interactions energy: -225.436
where: short stacking energy: -102.020
Base-Backbone interact. energy: -0.120
local terms energy: -100.680460
where:
bonds (distance) C4'-P energy: -19.910
bonds (distance) P-C4' energy: -21.816
flat angles C4'-P-C4' energy: -19.502
flat angles P-C4'-P energy: -12.264
tors. eta vs tors. theta energy: -27.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -307.155471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.155471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.155471 (E_RNA)
where:
Base-Base interactions energy: -209.194
where: short stacking energy: -87.959
Base-Backbone interact. energy: -0.056
local terms energy: -97.905552
where:
bonds (distance) C4'-P energy: -18.651
bonds (distance) P-C4' energy: -22.190
flat angles C4'-P-C4' energy: -20.578
flat angles P-C4'-P energy: -11.413
tors. eta vs tors. theta energy: -25.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -310.851151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.851151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.851151 (E_RNA)
where:
Base-Base interactions energy: -211.860
where: short stacking energy: -93.830
Base-Backbone interact. energy: -0.701
local terms energy: -98.289897
where:
bonds (distance) C4'-P energy: -19.267
bonds (distance) P-C4' energy: -17.007
flat angles C4'-P-C4' energy: -24.434
flat angles P-C4'-P energy: -9.209
tors. eta vs tors. theta energy: -28.373
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: 6
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -291.027747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.027747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.027747 (E_RNA)
where:
Base-Base interactions energy: -195.956
where: short stacking energy: -82.881
Base-Backbone interact. energy: -0.052
local terms energy: -95.019857
where:
bonds (distance) C4'-P energy: -19.210
bonds (distance) P-C4' energy: -19.811
flat angles C4'-P-C4' energy: -20.288
flat angles P-C4'-P energy: -12.211
tors. eta vs tors. theta energy: -23.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -211.500552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.500552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.500552 (E_RNA)
where:
Base-Base interactions energy: -133.539
where: short stacking energy: -63.915
Base-Backbone interact. energy: -0.485
local terms energy: -77.475995
where:
bonds (distance) C4'-P energy: -19.356
bonds (distance) P-C4' energy: -18.607
flat angles C4'-P-C4' energy: -17.203
flat angles P-C4'-P energy: -5.428
tors. eta vs tors. theta energy: -16.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -211.258908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.258908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.258908 (E_RNA)
where:
Base-Base interactions energy: -132.848
where: short stacking energy: -72.220
Base-Backbone interact. energy: -0.154
local terms energy: -78.256458
where:
bonds (distance) C4'-P energy: -17.445
bonds (distance) P-C4' energy: -16.237
flat angles C4'-P-C4' energy: -16.242
flat angles P-C4'-P energy: -10.764
tors. eta vs tors. theta energy: -17.569
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: 9
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -109.006077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.006077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.006077 (E_RNA)
where:
Base-Base interactions energy: -40.632
where: short stacking energy: -25.618
Base-Backbone interact. energy: 0.272
local terms energy: -68.646174
where:
bonds (distance) C4'-P energy: -16.407
bonds (distance) P-C4' energy: -14.528
flat angles C4'-P-C4' energy: -23.354
flat angles P-C4'-P energy: -11.677
tors. eta vs tors. theta energy: -2.681
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: 4
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -115.845684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.845684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.845684 (E_RNA)
where:
Base-Base interactions energy: -49.129
where: short stacking energy: -43.418
Base-Backbone interact. energy: -0.226
local terms energy: -66.490438
where:
bonds (distance) C4'-P energy: -17.976
bonds (distance) P-C4' energy: -18.877
flat angles C4'-P-C4' energy: -23.188
flat angles P-C4'-P energy: -8.260
tors. eta vs tors. theta energy: 1.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -119.738399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.738399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.738399 (E_RNA)
where:
Base-Base interactions energy: -50.856
where: short stacking energy: -32.869
Base-Backbone interact. energy: -0.483
local terms energy: -68.399022
where:
bonds (distance) C4'-P energy: -19.295
bonds (distance) P-C4' energy: -19.612
flat angles C4'-P-C4' energy: -15.556
flat angles P-C4'-P energy: -9.676
tors. eta vs tors. theta energy: -4.260
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: 7
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -334.916154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.916154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.916154 (E_RNA)
where:
Base-Base interactions energy: -226.539
where: short stacking energy: -103.429
Base-Backbone interact. energy: -0.163
local terms energy: -108.213992
where:
bonds (distance) C4'-P energy: -19.031
bonds (distance) P-C4' energy: -22.887
flat angles C4'-P-C4' energy: -22.513
flat angles P-C4'-P energy: -16.815
tors. eta vs tors. theta energy: -26.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -313.024159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.024159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.024159 (E_RNA)
where:
Base-Base interactions energy: -215.913
where: short stacking energy: -84.003
Base-Backbone interact. energy: -0.578
local terms energy: -96.533529
where:
bonds (distance) C4'-P energy: -17.043
bonds (distance) P-C4' energy: -21.347
flat angles C4'-P-C4' energy: -21.721
flat angles P-C4'-P energy: -13.274
tors. eta vs tors. theta energy: -23.148
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: 365
Temperature: 1.000000
Total energy: -319.011214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.011214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.011214 (E_RNA)
where:
Base-Base interactions energy: -219.080
where: short stacking energy: -92.385
Base-Backbone interact. energy: -0.303
local terms energy: -99.628189
where:
bonds (distance) C4'-P energy: -18.622
bonds (distance) P-C4' energy: -21.286
flat angles C4'-P-C4' energy: -21.376
flat angles P-C4'-P energy: -13.777
tors. eta vs tors. theta energy: -24.567
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: 3
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -310.633180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.633180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.633180 (E_RNA)
where:
Base-Base interactions energy: -211.910
where: short stacking energy: -86.571
Base-Backbone interact. energy: 0.685
local terms energy: -99.407849
where:
bonds (distance) C4'-P energy: -18.272
bonds (distance) P-C4' energy: -21.375
flat angles C4'-P-C4' energy: -20.592
flat angles P-C4'-P energy: -14.495
tors. eta vs tors. theta energy: -24.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -277.931467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.931467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.931467 (E_RNA)
where:
Base-Base interactions energy: -181.625
where: short stacking energy: -73.712
Base-Backbone interact. energy: 1.566
local terms energy: -97.871811
where:
bonds (distance) C4'-P energy: -17.814
bonds (distance) P-C4' energy: -20.880
flat angles C4'-P-C4' energy: -23.334
flat angles P-C4'-P energy: -13.221
tors. eta vs tors. theta energy: -22.623
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: 5
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -207.457630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.457630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.457630 (E_RNA)
where:
Base-Base interactions energy: -125.326
where: short stacking energy: -59.770
Base-Backbone interact. energy: -0.441
local terms energy: -81.691048
where:
bonds (distance) C4'-P energy: -17.010
bonds (distance) P-C4' energy: -22.621
flat angles C4'-P-C4' energy: -18.132
flat angles P-C4'-P energy: -9.058
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: 1
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -185.404084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.404084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.404084 (E_RNA)
where:
Base-Base interactions energy: -104.657
where: short stacking energy: -41.156
Base-Backbone interact. energy: -0.373
local terms energy: -80.373951
where:
bonds (distance) C4'-P energy: -22.352
bonds (distance) P-C4' energy: -18.843
flat angles C4'-P-C4' energy: -20.256
flat angles P-C4'-P energy: -10.522
tors. eta vs tors. theta energy: -8.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -133.246194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.246194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.246194 (E_RNA)
where:
Base-Base interactions energy: -61.188
where: short stacking energy: -58.633
Base-Backbone interact. energy: -0.804
local terms energy: -71.254813
where:
bonds (distance) C4'-P energy: -14.001
bonds (distance) P-C4' energy: -19.418
flat angles C4'-P-C4' energy: -15.014
flat angles P-C4'-P energy: -13.153
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: 9, replica: 9
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -115.413816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.413816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.413816 (E_RNA)
where:
Base-Base interactions energy: -43.823
where: short stacking energy: -27.291
Base-Backbone interact. energy: -0.161
local terms energy: -71.429233
where:
bonds (distance) C4'-P energy: -18.290
bonds (distance) P-C4' energy: -24.710
flat angles C4'-P-C4' energy: -16.561
flat angles P-C4'-P energy: -6.693
tors. eta vs tors. theta energy: -5.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -126.826740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.826740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.826740 (E_RNA)
where:
Base-Base interactions energy: -70.660
where: short stacking energy: -32.432
Base-Backbone interact. energy: -0.147
local terms energy: -56.020148
where:
bonds (distance) C4'-P energy: -19.760
bonds (distance) P-C4' energy: -17.995
flat angles C4'-P-C4' energy: -16.573
flat angles P-C4'-P energy: -6.228
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: 1, replica: 7
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -332.348876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.348876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.348876 (E_RNA)
where:
Base-Base interactions energy: -226.784
where: short stacking energy: -95.495
Base-Backbone interact. energy: -0.154
local terms energy: -105.411647
where:
bonds (distance) C4'-P energy: -21.971
bonds (distance) P-C4' energy: -19.964
flat angles C4'-P-C4' energy: -22.626
flat angles P-C4'-P energy: -17.571
tors. eta vs tors. theta energy: -23.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -307.840758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.840758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.840758 (E_RNA)
where:
Base-Base interactions energy: -221.826
where: short stacking energy: -81.700
Base-Backbone interact. energy: -0.201
local terms energy: -85.813686
where:
bonds (distance) C4'-P energy: -16.530
bonds (distance) P-C4' energy: -20.591
flat angles C4'-P-C4' energy: -21.019
flat angles P-C4'-P energy: -7.988
tors. eta vs tors. theta energy: -19.686
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: 3
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -325.119337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.119337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.119337 (E_RNA)
where:
Base-Base interactions energy: -225.325
where: short stacking energy: -97.107
Base-Backbone interact. energy: -0.070
local terms energy: -99.725027
where:
bonds (distance) C4'-P energy: -22.442
bonds (distance) P-C4' energy: -12.810
flat angles C4'-P-C4' energy: -19.474
flat angles P-C4'-P energy: -16.168
tors. eta vs tors. theta energy: -28.831
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: 2
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -306.494730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.494730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.494730 (E_RNA)
where:
Base-Base interactions energy: -208.423
where: short stacking energy: -93.956
Base-Backbone interact. energy: -0.429
local terms energy: -97.642369
where:
bonds (distance) C4'-P energy: -20.108
bonds (distance) P-C4' energy: -20.696
flat angles C4'-P-C4' energy: -17.093
flat angles P-C4'-P energy: -11.829
tors. eta vs tors. theta energy: -27.917
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: 366
Temperature: 1.100000
Total energy: -287.394009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.394009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.394009 (E_RNA)
where:
Base-Base interactions energy: -191.414
where: short stacking energy: -85.322
Base-Backbone interact. energy: -0.020
local terms energy: -95.960612
where:
bonds (distance) C4'-P energy: -17.645
bonds (distance) P-C4' energy: -21.630
flat angles C4'-P-C4' energy: -22.031
flat angles P-C4'-P energy: -11.815
tors. eta vs tors. theta energy: -22.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -212.012623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.012623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.012623 (E_RNA)
where:
Base-Base interactions energy: -141.614
where: short stacking energy: -68.822
Base-Backbone interact. energy: -0.021
local terms energy: -70.377787
where:
bonds (distance) C4'-P energy: -16.067
bonds (distance) P-C4' energy: -14.282
flat angles C4'-P-C4' energy: -15.288
flat angles P-C4'-P energy: -9.007
tors. eta vs tors. theta energy: -15.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -193.770971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.770971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.770971 (E_RNA)
where:
Base-Base interactions energy: -111.838
where: short stacking energy: -46.263
Base-Backbone interact. energy: -0.170
local terms energy: -81.763254
where:
bonds (distance) C4'-P energy: -20.861
bonds (distance) P-C4' energy: -14.472
flat angles C4'-P-C4' energy: -18.532
flat angles P-C4'-P energy: -14.449
tors. eta vs tors. theta energy: -13.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -108.326636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.326636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.326636 (E_RNA)
where:
Base-Base interactions energy: -50.024
where: short stacking energy: -33.244
Base-Backbone interact. energy: -0.208
local terms energy: -58.094477
where:
bonds (distance) C4'-P energy: -16.415
bonds (distance) P-C4' energy: -20.641
flat angles C4'-P-C4' energy: -15.505
flat angles P-C4'-P energy: -7.927
tors. eta vs tors. theta energy: 2.394
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: 8
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -150.565091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.565091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.565091 (E_RNA)
where:
Base-Base interactions energy: -93.776
where: short stacking energy: -52.400
Base-Backbone interact. energy: -0.022
local terms energy: -56.766217
where:
bonds (distance) C4'-P energy: -13.615
bonds (distance) P-C4' energy: -21.433
flat angles C4'-P-C4' energy: -13.450
flat angles P-C4'-P energy: -6.342
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: 9
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -104.840279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.840279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.840279 (E_RNA)
where:
Base-Base interactions energy: -48.128
where: short stacking energy: -38.768
Base-Backbone interact. energy: -0.046
local terms energy: -56.666683
where:
bonds (distance) C4'-P energy: -13.210
bonds (distance) P-C4' energy: -17.544
flat angles C4'-P-C4' energy: -9.757
flat angles P-C4'-P energy: -11.121
tors. eta vs tors. theta energy: -5.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -340.215730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.215730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.215730 (E_RNA)
where:
Base-Base interactions energy: -235.340
where: short stacking energy: -99.664
Base-Backbone interact. energy: -0.147
local terms energy: -104.728828
where:
bonds (distance) C4'-P energy: -19.276
bonds (distance) P-C4' energy: -19.907
flat angles C4'-P-C4' energy: -22.424
flat angles P-C4'-P energy: -16.319
tors. eta vs tors. theta energy: -26.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -332.340289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.340289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.340289 (E_RNA)
where:
Base-Base interactions energy: -222.629
where: short stacking energy: -93.849
Base-Backbone interact. energy: 1.895
local terms energy: -111.605829
where:
bonds (distance) C4'-P energy: -20.178
bonds (distance) P-C4' energy: -24.001
flat angles C4'-P-C4' energy: -24.914
flat angles P-C4'-P energy: -12.971
tors. eta vs tors. theta energy: -29.542
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: 10
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -303.400713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.400713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.400713 (E_RNA)
where:
Base-Base interactions energy: -211.945
where: short stacking energy: -80.472
Base-Backbone interact. energy: -0.709
local terms energy: -90.746830
where:
bonds (distance) C4'-P energy: -18.160
bonds (distance) P-C4' energy: -22.466
flat angles C4'-P-C4' energy: -19.622
flat angles P-C4'-P energy: -12.165
tors. eta vs tors. theta energy: -18.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -313.637835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.637835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.637835 (E_RNA)
where:
Base-Base interactions energy: -207.968
where: short stacking energy: -94.905
Base-Backbone interact. energy: 0.648
local terms energy: -106.318314
where:
bonds (distance) C4'-P energy: -24.392
bonds (distance) P-C4' energy: -20.840
flat angles C4'-P-C4' energy: -18.943
flat angles P-C4'-P energy: -17.463
tors. eta vs tors. theta energy: -24.679
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: 6
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -275.601151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.601151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.601151 (E_RNA)
where:
Base-Base interactions energy: -185.816
where: short stacking energy: -78.668
Base-Backbone interact. energy: -0.475
local terms energy: -89.310758
where:
bonds (distance) C4'-P energy: -19.612
bonds (distance) P-C4' energy: -18.850
flat angles C4'-P-C4' energy: -16.914
flat angles P-C4'-P energy: -13.321
tors. eta vs tors. theta energy: -20.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -228.112981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.112981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.112981 (E_RNA)
where:
Base-Base interactions energy: -147.638
where: short stacking energy: -69.263
Base-Backbone interact. energy: -0.010
local terms energy: -80.465128
where:
bonds (distance) C4'-P energy: -12.958
bonds (distance) P-C4' energy: -20.164
flat angles C4'-P-C4' energy: -22.053
flat angles P-C4'-P energy: -7.698
tors. eta vs tors. theta energy: -17.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -205.080846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.080846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.080846 (E_RNA)
where:
Base-Base interactions energy: -125.383
where: short stacking energy: -68.211
Base-Backbone interact. energy: -0.079
local terms energy: -79.618664
where:
bonds (distance) C4'-P energy: -19.598
bonds (distance) P-C4' energy: -20.565
flat angles C4'-P-C4' energy: -18.035
flat angles P-C4'-P energy: -3.813
tors. eta vs tors. theta energy: -17.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -163.753686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.753686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.753686 (E_RNA)
where:
Base-Base interactions energy: -93.579
where: short stacking energy: -58.053
Base-Backbone interact. energy: -0.175
local terms energy: -69.999564
where:
bonds (distance) C4'-P energy: -18.568
bonds (distance) P-C4' energy: -17.762
flat angles C4'-P-C4' energy: -18.189
flat angles P-C4'-P energy: -2.131
tors. eta vs tors. theta energy: -13.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -101.964375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.964375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.964375 (E_RNA)
where:
Base-Base interactions energy: -41.309
where: short stacking energy: -38.524
Base-Backbone interact. energy: -0.415
local terms energy: -60.241167
where:
bonds (distance) C4'-P energy: -13.321
bonds (distance) P-C4' energy: -22.845
flat angles C4'-P-C4' energy: -13.675
flat angles P-C4'-P energy: -7.620
tors. eta vs tors. theta energy: -2.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -97.174570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.174570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.174570 (E_RNA)
where:
Base-Base interactions energy: -38.175
where: short stacking energy: -30.728
Base-Backbone interact. energy: -0.281
local terms energy: -58.719173
where:
bonds (distance) C4'-P energy: -16.087
bonds (distance) P-C4' energy: -20.556
flat angles C4'-P-C4' energy: -13.440
flat angles P-C4'-P energy: -7.484
tors. eta vs tors. theta energy: -1.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -347.868966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.868966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.868966 (E_RNA)
where:
Base-Base interactions energy: -240.199
where: short stacking energy: -97.060
Base-Backbone interact. energy: -0.734
local terms energy: -106.935929
where:
bonds (distance) C4'-P energy: -21.473
bonds (distance) P-C4' energy: -21.271
flat angles C4'-P-C4' energy: -22.961
flat angles P-C4'-P energy: -14.080
tors. eta vs tors. theta energy: -27.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -318.022606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.022606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.022606 (E_RNA)
where:
Base-Base interactions energy: -220.310
where: short stacking energy: -95.019
Base-Backbone interact. energy: -0.369
local terms energy: -97.344266
where:
bonds (distance) C4'-P energy: -18.894
bonds (distance) P-C4' energy: -18.385
flat angles C4'-P-C4' energy: -20.138
flat angles P-C4'-P energy: -9.219
tors. eta vs tors. theta energy: -30.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -325.454137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.454137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.454137 (E_RNA)
where:
Base-Base interactions energy: -217.197
where: short stacking energy: -90.798
Base-Backbone interact. energy: 0.559
local terms energy: -108.816163
where:
bonds (distance) C4'-P energy: -19.289
bonds (distance) P-C4' energy: -24.335
flat angles C4'-P-C4' energy: -21.445
flat angles P-C4'-P energy: -15.787
tors. eta vs tors. theta energy: -27.961
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: 368
Temperature: 1.050000
Total energy: -292.670220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.670220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.670220 (E_RNA)
where:
Base-Base interactions energy: -206.941
where: short stacking energy: -80.574
Base-Backbone interact. energy: -0.231
local terms energy: -85.497980
where:
bonds (distance) C4'-P energy: -19.401
bonds (distance) P-C4' energy: -13.652
flat angles C4'-P-C4' energy: -18.693
flat angles P-C4'-P energy: -11.664
tors. eta vs tors. theta energy: -22.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -275.652703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.652703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.652703 (E_RNA)
where:
Base-Base interactions energy: -179.771
where: short stacking energy: -79.862
Base-Backbone interact. energy: -0.022
local terms energy: -95.858862
where:
bonds (distance) C4'-P energy: -18.100
bonds (distance) P-C4' energy: -17.804
flat angles C4'-P-C4' energy: -22.337
flat angles P-C4'-P energy: -13.724
tors. eta vs tors. theta energy: -23.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -177.771519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.771519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.771519 (E_RNA)
where:
Base-Base interactions energy: -102.398
where: short stacking energy: -51.149
Base-Backbone interact. energy: 1.122
local terms energy: -76.495591
where:
bonds (distance) C4'-P energy: -19.633
bonds (distance) P-C4' energy: -22.782
flat angles C4'-P-C4' energy: -18.310
flat angles P-C4'-P energy: -7.786
tors. eta vs tors. theta energy: -7.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -216.613726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.613726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.613726 (E_RNA)
where:
Base-Base interactions energy: -154.773
where: short stacking energy: -60.285
Base-Backbone interact. energy: -0.323
local terms energy: -61.516868
where:
bonds (distance) C4'-P energy: -16.988
bonds (distance) P-C4' energy: -23.243
flat angles C4'-P-C4' energy: -16.796
flat angles P-C4'-P energy: 0.294
tors. eta vs tors. theta energy: -4.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -160.272091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.272091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.272091 (E_RNA)
where:
Base-Base interactions energy: -90.495
where: short stacking energy: -41.473
Base-Backbone interact. energy: 0.519
local terms energy: -70.297027
where:
bonds (distance) C4'-P energy: -13.397
bonds (distance) P-C4' energy: -20.746
flat angles C4'-P-C4' energy: -17.299
flat angles P-C4'-P energy: -10.656
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: 9, replica: 4
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -101.784836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.784836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.784836 (E_RNA)
where:
Base-Base interactions energy: -46.439
where: short stacking energy: -29.383
Base-Backbone interact. energy: -1.344
local terms energy: -54.001556
where:
bonds (distance) C4'-P energy: -21.337
bonds (distance) P-C4' energy: -16.969
flat angles C4'-P-C4' energy: -11.341
flat angles P-C4'-P energy: -6.164
tors. eta vs tors. theta energy: 1.810
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: 9
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -104.992301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.992301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.992301 (E_RNA)
where:
Base-Base interactions energy: -33.950
where: short stacking energy: -30.779
Base-Backbone interact. energy: -0.339
local terms energy: -70.703700
where:
bonds (distance) C4'-P energy: -18.282
bonds (distance) P-C4' energy: -13.226
flat angles C4'-P-C4' energy: -13.001
flat angles P-C4'-P energy: -18.081
tors. eta vs tors. theta energy: -8.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -325.385847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.385847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.385847 (E_RNA)
where:
Base-Base interactions energy: -221.955
where: short stacking energy: -96.834
Base-Backbone interact. energy: 0.646
local terms energy: -104.076547
where:
bonds (distance) C4'-P energy: -18.131
bonds (distance) P-C4' energy: -22.961
flat angles C4'-P-C4' energy: -21.517
flat angles P-C4'-P energy: -13.026
tors. eta vs tors. theta energy: -28.442
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: 2
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -317.511237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.511237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.511237 (E_RNA)
where:
Base-Base interactions energy: -218.469
where: short stacking energy: -97.954
Base-Backbone interact. energy: -0.119
local terms energy: -98.922705
where:
bonds (distance) C4'-P energy: -17.848
bonds (distance) P-C4' energy: -19.126
flat angles C4'-P-C4' energy: -18.490
flat angles P-C4'-P energy: -13.419
tors. eta vs tors. theta energy: -30.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -320.004615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.004615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.004615 (E_RNA)
where:
Base-Base interactions energy: -216.727
where: short stacking energy: -95.677
Base-Backbone interact. energy: -0.048
local terms energy: -103.230176
where:
bonds (distance) C4'-P energy: -21.272
bonds (distance) P-C4' energy: -18.945
flat angles C4'-P-C4' energy: -22.948
flat angles P-C4'-P energy: -16.517
tors. eta vs tors. theta energy: -23.548
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: 6
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -276.107156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.107156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.107156 (E_RNA)
where:
Base-Base interactions energy: -186.032
where: short stacking energy: -78.291
Base-Backbone interact. energy: -0.197
local terms energy: -89.877878
where:
bonds (distance) C4'-P energy: -16.813
bonds (distance) P-C4' energy: -17.358
flat angles C4'-P-C4' energy: -21.070
flat angles P-C4'-P energy: -16.009
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: 5, replica: 10
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -277.990889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.990889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.990889 (E_RNA)
where:
Base-Base interactions energy: -189.994
where: short stacking energy: -78.842
Base-Backbone interact. energy: 3.260
local terms energy: -91.256747
where:
bonds (distance) C4'-P energy: -20.823
bonds (distance) P-C4' energy: -18.201
flat angles C4'-P-C4' energy: -17.063
flat angles P-C4'-P energy: -9.438
tors. eta vs tors. theta energy: -25.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -227.293326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.293326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.293326 (E_RNA)
where:
Base-Base interactions energy: -147.642
where: short stacking energy: -67.059
Base-Backbone interact. energy: -0.635
local terms energy: -79.016965
where:
bonds (distance) C4'-P energy: -17.736
bonds (distance) P-C4' energy: -20.612
flat angles C4'-P-C4' energy: -11.777
flat angles P-C4'-P energy: -15.449
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: 7, replica: 5
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -167.323207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.323207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.323207 (E_RNA)
where:
Base-Base interactions energy: -108.813
where: short stacking energy: -52.448
Base-Backbone interact. energy: 0.197
local terms energy: -58.708166
where:
bonds (distance) C4'-P energy: -15.822
bonds (distance) P-C4' energy: -15.781
flat angles C4'-P-C4' energy: -15.155
flat angles P-C4'-P energy: -11.214
tors. eta vs tors. theta energy: -0.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -118.886006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.886006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.886006 (E_RNA)
where:
Base-Base interactions energy: -49.025
where: short stacking energy: -39.029
Base-Backbone interact. energy: -1.481
local terms energy: -68.379892
where:
bonds (distance) C4'-P energy: -18.254
bonds (distance) P-C4' energy: -22.268
flat angles C4'-P-C4' energy: -16.891
flat angles P-C4'-P energy: -11.825
tors. eta vs tors. theta energy: 0.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -167.001119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.001119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.001119 (E_RNA)
where:
Base-Base interactions energy: -94.507
where: short stacking energy: -48.546
Base-Backbone interact. energy: -0.226
local terms energy: -72.268424
where:
bonds (distance) C4'-P energy: -18.671
bonds (distance) P-C4' energy: -20.004
flat angles C4'-P-C4' energy: -15.610
flat angles P-C4'-P energy: -13.717
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: 9
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -122.747873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.747873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.747873 (E_RNA)
where:
Base-Base interactions energy: -73.143
where: short stacking energy: -36.203
Base-Backbone interact. energy: 0.474
local terms energy: -50.079108
where:
bonds (distance) C4'-P energy: -14.631
bonds (distance) P-C4' energy: -16.090
flat angles C4'-P-C4' energy: -16.315
flat angles P-C4'-P energy: -5.232
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: 1, replica: 7
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -334.042558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.042558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.042558 (E_RNA)
where:
Base-Base interactions energy: -223.331
where: short stacking energy: -92.268
Base-Backbone interact. energy: -0.282
local terms energy: -110.429749
where:
bonds (distance) C4'-P energy: -21.346
bonds (distance) P-C4' energy: -21.179
flat angles C4'-P-C4' energy: -22.513
flat angles P-C4'-P energy: -19.855
tors. eta vs tors. theta energy: -25.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -329.601404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.601404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.601404 (E_RNA)
where:
Base-Base interactions energy: -225.068
where: short stacking energy: -96.796
Base-Backbone interact. energy: -0.372
local terms energy: -104.160822
where:
bonds (distance) C4'-P energy: -21.916
bonds (distance) P-C4' energy: -22.190
flat angles C4'-P-C4' energy: -20.144
flat angles P-C4'-P energy: -11.439
tors. eta vs tors. theta energy: -28.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -317.081204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.081204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.081204 (E_RNA)
where:
Base-Base interactions energy: -217.360
where: short stacking energy: -96.992
Base-Backbone interact. energy: -0.139
local terms energy: -99.582481
where:
bonds (distance) C4'-P energy: -16.655
bonds (distance) P-C4' energy: -18.643
flat angles C4'-P-C4' energy: -22.834
flat angles P-C4'-P energy: -13.498
tors. eta vs tors. theta energy: -27.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -286.863146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.863146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.863146 (E_RNA)
where:
Base-Base interactions energy: -200.702
where: short stacking energy: -87.085
Base-Backbone interact. energy: 0.368
local terms energy: -86.529743
where:
bonds (distance) C4'-P energy: -15.773
bonds (distance) P-C4' energy: -17.662
flat angles C4'-P-C4' energy: -18.659
flat angles P-C4'-P energy: -13.641
tors. eta vs tors. theta energy: -20.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -277.817093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.817093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.817093 (E_RNA)
where:
Base-Base interactions energy: -205.364
where: short stacking energy: -77.903
Base-Backbone interact. energy: -0.446
local terms energy: -72.006824
where:
bonds (distance) C4'-P energy: -14.506
bonds (distance) P-C4' energy: -10.032
flat angles C4'-P-C4' energy: -16.519
flat angles P-C4'-P energy: -7.534
tors. eta vs tors. theta energy: -23.415
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: 1
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -230.408473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.408473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.408473 (E_RNA)
where:
Base-Base interactions energy: -148.232
where: short stacking energy: -66.287
Base-Backbone interact. energy: -0.369
local terms energy: -81.807192
where:
bonds (distance) C4'-P energy: -15.484
bonds (distance) P-C4' energy: -15.693
flat angles C4'-P-C4' energy: -19.165
flat angles P-C4'-P energy: -15.668
tors. eta vs tors. theta energy: -15.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -201.557326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.557326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.557326 (E_RNA)
where:
Base-Base interactions energy: -121.622
where: short stacking energy: -68.220
Base-Backbone interact. energy: -0.058
local terms energy: -79.877341
where:
bonds (distance) C4'-P energy: -18.019
bonds (distance) P-C4' energy: -20.478
flat angles C4'-P-C4' energy: -15.822
flat angles P-C4'-P energy: -11.734
tors. eta vs tors. theta energy: -13.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -107.887953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.887953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.887953 (E_RNA)
where:
Base-Base interactions energy: -49.448
where: short stacking energy: -32.158
Base-Backbone interact. energy: -0.677
local terms energy: -57.762492
where:
bonds (distance) C4'-P energy: -19.185
bonds (distance) P-C4' energy: -17.112
flat angles C4'-P-C4' energy: -11.192
flat angles P-C4'-P energy: -11.251
tors. eta vs tors. theta energy: 0.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -157.882242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.882242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.882242 (E_RNA)
where:
Base-Base interactions energy: -84.432
where: short stacking energy: -47.154
Base-Backbone interact. energy: -0.180
local terms energy: -73.270181
where:
bonds (distance) C4'-P energy: -19.244
bonds (distance) P-C4' energy: -15.478
flat angles C4'-P-C4' energy: -19.028
flat angles P-C4'-P energy: -12.334
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: 10, replica: 9
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -94.410183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.410183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.410183 (E_RNA)
where:
Base-Base interactions energy: -26.984
where: short stacking energy: -27.527
Base-Backbone interact. energy: 1.028
local terms energy: -68.454076
where:
bonds (distance) C4'-P energy: -15.238
bonds (distance) P-C4' energy: -18.167
flat angles C4'-P-C4' energy: -23.029
flat angles P-C4'-P energy: -8.035
tors. eta vs tors. theta energy: -3.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -335.724272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.724272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.724272 (E_RNA)
where:
Base-Base interactions energy: -226.083
where: short stacking energy: -97.976
Base-Backbone interact. energy: 1.069
local terms energy: -110.709426
where:
bonds (distance) C4'-P energy: -20.539
bonds (distance) P-C4' energy: -19.778
flat angles C4'-P-C4' energy: -24.508
flat angles P-C4'-P energy: -17.905
tors. eta vs tors. theta energy: -27.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -327.808981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.808981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.808981 (E_RNA)
where:
Base-Base interactions energy: -228.976
where: short stacking energy: -93.837
Base-Backbone interact. energy: -0.374
local terms energy: -98.459918
where:
bonds (distance) C4'-P energy: -20.684
bonds (distance) P-C4' energy: -18.893
flat angles C4'-P-C4' energy: -22.514
flat angles P-C4'-P energy: -10.408
tors. eta vs tors. theta energy: -25.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -312.479306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.479306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.479306 (E_RNA)
where:
Base-Base interactions energy: -217.697
where: short stacking energy: -92.201
Base-Backbone interact. energy: -0.213
local terms energy: -94.569428
where:
bonds (distance) C4'-P energy: -21.840
bonds (distance) P-C4' energy: -20.467
flat angles C4'-P-C4' energy: -16.469
flat angles P-C4'-P energy: -10.517
tors. eta vs tors. theta energy: -25.277
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: 10
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -281.965368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.965368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.965368 (E_RNA)
where:
Base-Base interactions energy: -194.087
where: short stacking energy: -79.805
Base-Backbone interact. energy: 0.225
local terms energy: -88.103036
where:
bonds (distance) C4'-P energy: -15.270
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -18.274
flat angles P-C4'-P energy: -11.774
tors. eta vs tors. theta energy: -24.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -263.971752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.971752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.971752 (E_RNA)
where:
Base-Base interactions energy: -175.214
where: short stacking energy: -80.856
Base-Backbone interact. energy: -0.026
local terms energy: -88.732555
where:
bonds (distance) C4'-P energy: -19.901
bonds (distance) P-C4' energy: -17.708
flat angles C4'-P-C4' energy: -19.453
flat angles P-C4'-P energy: -10.799
tors. eta vs tors. theta energy: -20.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -206.965101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.965101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.965101 (E_RNA)
where:
Base-Base interactions energy: -113.198
where: short stacking energy: -74.365
Base-Backbone interact. energy: -0.363
local terms energy: -93.404621
where:
bonds (distance) C4'-P energy: -17.098
bonds (distance) P-C4' energy: -22.834
flat angles C4'-P-C4' energy: -11.904
flat angles P-C4'-P energy: -16.637
tors. eta vs tors. theta energy: -24.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -238.451945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.451945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.451945 (E_RNA)
where:
Base-Base interactions energy: -168.465
where: short stacking energy: -70.168
Base-Backbone interact. energy: -0.498
local terms energy: -69.488377
where:
bonds (distance) C4'-P energy: -13.639
bonds (distance) P-C4' energy: -10.705
flat angles C4'-P-C4' energy: -21.903
flat angles P-C4'-P energy: -9.590
tors. eta vs tors. theta energy: -13.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -183.218759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.218759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.218759 (E_RNA)
where:
Base-Base interactions energy: -107.615
where: short stacking energy: -54.336
Base-Backbone interact. energy: -0.116
local terms energy: -75.488132
where:
bonds (distance) C4'-P energy: -14.316
bonds (distance) P-C4' energy: -12.998
flat angles C4'-P-C4' energy: -18.266
flat angles P-C4'-P energy: -16.387
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: 9, replica: 4
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -107.890487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.890487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.890487 (E_RNA)
where:
Base-Base interactions energy: -47.120
where: short stacking energy: -22.870
Base-Backbone interact. energy: -0.069
local terms energy: -60.702140
where:
bonds (distance) C4'-P energy: -12.685
bonds (distance) P-C4' energy: -19.704
flat angles C4'-P-C4' energy: -19.894
flat angles P-C4'-P energy: -6.313
tors. eta vs tors. theta energy: -2.107
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: 10, replica: 9
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -94.548732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.548732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.548732 (E_RNA)
where:
Base-Base interactions energy: -33.076
where: short stacking energy: -32.874
Base-Backbone interact. energy: -0.397
local terms energy: -61.075823
where:
bonds (distance) C4'-P energy: -19.690
bonds (distance) P-C4' energy: -19.793
flat angles C4'-P-C4' energy: -17.391
flat angles P-C4'-P energy: -4.412
tors. eta vs tors. theta energy: 0.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -330.906026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.906026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.906026 (E_RNA)
where:
Base-Base interactions energy: -225.909
where: short stacking energy: -104.423
Base-Backbone interact. energy: -0.099
local terms energy: -104.897694
where:
bonds (distance) C4'-P energy: -21.461
bonds (distance) P-C4' energy: -21.740
flat angles C4'-P-C4' energy: -20.979
flat angles P-C4'-P energy: -15.335
tors. eta vs tors. theta energy: -25.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -322.741490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.741490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.741490 (E_RNA)
where:
Base-Base interactions energy: -217.726
where: short stacking energy: -94.453
Base-Backbone interact. energy: -0.110
local terms energy: -104.904730
where:
bonds (distance) C4'-P energy: -19.422
bonds (distance) P-C4' energy: -19.728
flat angles C4'-P-C4' energy: -23.098
flat angles P-C4'-P energy: -15.421
tors. eta vs tors. theta energy: -27.236
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: 3, replica: 2
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -322.169395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.169395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.169395 (E_RNA)
where:
Base-Base interactions energy: -217.623
where: short stacking energy: -91.430
Base-Backbone interact. energy: -0.577
local terms energy: -103.969534
where:
bonds (distance) C4'-P energy: -22.154
bonds (distance) P-C4' energy: -23.042
flat angles C4'-P-C4' energy: -18.770
flat angles P-C4'-P energy: -13.932
tors. eta vs tors. theta energy: -26.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -262.118305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.118305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.118305 (E_RNA)
where:
Base-Base interactions energy: -169.327
where: short stacking energy: -80.404
Base-Backbone interact. energy: -0.115
local terms energy: -92.676829
where:
bonds (distance) C4'-P energy: -18.555
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -20.316
flat angles P-C4'-P energy: -12.300
tors. eta vs tors. theta energy: -24.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -266.329762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.329762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.329762 (E_RNA)
where:
Base-Base interactions energy: -177.711
where: short stacking energy: -75.324
Base-Backbone interact. energy: -0.070
local terms energy: -88.548084
where:
bonds (distance) C4'-P energy: -21.097
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -18.620
flat angles P-C4'-P energy: -13.243
tors. eta vs tors. theta energy: -18.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -194.833508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.833508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.833508 (E_RNA)
where:
Base-Base interactions energy: -115.516
where: short stacking energy: -58.321
Base-Backbone interact. energy: -0.164
local terms energy: -79.153215
where:
bonds (distance) C4'-P energy: -15.852
bonds (distance) P-C4' energy: -20.997
flat angles C4'-P-C4' energy: -16.603
flat angles P-C4'-P energy: -17.217
tors. eta vs tors. theta energy: -8.485
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: 1
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -200.653038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.653038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.653038 (E_RNA)
where:
Base-Base interactions energy: -131.971
where: short stacking energy: -51.228
Base-Backbone interact. energy: -0.146
local terms energy: -68.536460
where:
bonds (distance) C4'-P energy: -17.985
bonds (distance) P-C4' energy: -17.592
flat angles C4'-P-C4' energy: -16.600
flat angles P-C4'-P energy: -5.811
tors. eta vs tors. theta energy: -10.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -220.865199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.865199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.865199 (E_RNA)
where:
Base-Base interactions energy: -125.529
where: short stacking energy: -62.909
Base-Backbone interact. energy: -0.312
local terms energy: -95.024772
where:
bonds (distance) C4'-P energy: -17.683
bonds (distance) P-C4' energy: -22.821
flat angles C4'-P-C4' energy: -23.842
flat angles P-C4'-P energy: -15.961
tors. eta vs tors. theta energy: -14.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -113.986206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.986206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.986206 (E_RNA)
where:
Base-Base interactions energy: -45.036
where: short stacking energy: -39.323
Base-Backbone interact. energy: -0.245
local terms energy: -68.704996
where:
bonds (distance) C4'-P energy: -12.427
bonds (distance) P-C4' energy: -22.556
flat angles C4'-P-C4' energy: -19.426
flat angles P-C4'-P energy: -8.077
tors. eta vs tors. theta energy: -6.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -115.081079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.081079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.081079 (E_RNA)
where:
Base-Base interactions energy: -57.431
where: short stacking energy: -32.032
Base-Backbone interact. energy: 2.036
local terms energy: -59.686256
where:
bonds (distance) C4'-P energy: -20.171
bonds (distance) P-C4' energy: -18.809
flat angles C4'-P-C4' energy: -14.518
flat angles P-C4'-P energy: -4.198
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: 1, replica: 7
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -333.749184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.749184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.749184 (E_RNA)
where:
Base-Base interactions energy: -228.525
where: short stacking energy: -97.315
Base-Backbone interact. energy: 0.263
local terms energy: -105.487198
where:
bonds (distance) C4'-P energy: -21.329
bonds (distance) P-C4' energy: -21.189
flat angles C4'-P-C4' energy: -25.176
flat angles P-C4'-P energy: -14.215
tors. eta vs tors. theta energy: -23.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -323.403649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.403649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.403649 (E_RNA)
where:
Base-Base interactions energy: -220.352
where: short stacking energy: -92.184
Base-Backbone interact. energy: -0.523
local terms energy: -102.528935
where:
bonds (distance) C4'-P energy: -17.997
bonds (distance) P-C4' energy: -20.095
flat angles C4'-P-C4' energy: -24.248
flat angles P-C4'-P energy: -12.886
tors. eta vs tors. theta energy: -27.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -309.174772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.174772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.174772 (E_RNA)
where:
Base-Base interactions energy: -211.645
where: short stacking energy: -78.831
Base-Backbone interact. energy: -0.104
local terms energy: -97.426189
where:
bonds (distance) C4'-P energy: -19.976
bonds (distance) P-C4' energy: -20.245
flat angles C4'-P-C4' energy: -20.345
flat angles P-C4'-P energy: -15.160
tors. eta vs tors. theta energy: -21.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -293.253547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.253547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.253547 (E_RNA)
where:
Base-Base interactions energy: -202.284
where: short stacking energy: -89.338
Base-Backbone interact. energy: 1.481
local terms energy: -92.450174
where:
bonds (distance) C4'-P energy: -12.014
bonds (distance) P-C4' energy: -23.460
flat angles C4'-P-C4' energy: -22.513
flat angles P-C4'-P energy: -13.253
tors. eta vs tors. theta energy: -21.210
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: 373
Temperature: 1.100000
Total energy: -280.859322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.859322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.859322 (E_RNA)
where:
Base-Base interactions energy: -195.797
where: short stacking energy: -81.072
Base-Backbone interact. energy: -0.008
local terms energy: -85.054056
where:
bonds (distance) C4'-P energy: -21.129
bonds (distance) P-C4' energy: -15.322
flat angles C4'-P-C4' energy: -13.774
flat angles P-C4'-P energy: -11.853
tors. eta vs tors. theta energy: -22.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -212.683892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.683892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.683892 (E_RNA)
where:
Base-Base interactions energy: -127.747
where: short stacking energy: -57.528
Base-Backbone interact. energy: -0.003
local terms energy: -84.933778
where:
bonds (distance) C4'-P energy: -20.058
bonds (distance) P-C4' energy: -20.851
flat angles C4'-P-C4' energy: -18.772
flat angles P-C4'-P energy: -12.783
tors. eta vs tors. theta energy: -12.471
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: 1
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -174.966538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.966538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.966538 (E_RNA)
where:
Base-Base interactions energy: -101.090
where: short stacking energy: -69.102
Base-Backbone interact. energy: -0.802
local terms energy: -73.074700
where:
bonds (distance) C4'-P energy: -18.166
bonds (distance) P-C4' energy: -18.017
flat angles C4'-P-C4' energy: -17.123
flat angles P-C4'-P energy: -6.005
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: 8, replica: 8
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -200.232334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.232334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.232334 (E_RNA)
where:
Base-Base interactions energy: -119.324
where: short stacking energy: -47.183
Base-Backbone interact. energy: -0.304
local terms energy: -80.603901
where:
bonds (distance) C4'-P energy: -17.327
bonds (distance) P-C4' energy: -19.104
flat angles C4'-P-C4' energy: -22.324
flat angles P-C4'-P energy: -8.887
tors. eta vs tors. theta energy: -12.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -111.428545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.428545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.428545 (E_RNA)
where:
Base-Base interactions energy: -56.402
where: short stacking energy: -36.648
Base-Backbone interact. energy: -0.421
local terms energy: -54.606163
where:
bonds (distance) C4'-P energy: -16.231
bonds (distance) P-C4' energy: -10.954
flat angles C4'-P-C4' energy: -16.076
flat angles P-C4'-P energy: -8.591
tors. eta vs tors. theta energy: -2.754
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: 10, replica: 4
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -100.937436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.937436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.937436 (E_RNA)
where:
Base-Base interactions energy: -49.294
where: short stacking energy: -36.002
Base-Backbone interact. energy: -0.316
local terms energy: -51.327449
where:
bonds (distance) C4'-P energy: -18.495
bonds (distance) P-C4' energy: -16.555
flat angles C4'-P-C4' energy: -12.774
flat angles P-C4'-P energy: -4.619
tors. eta vs tors. theta energy: 1.115
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: 1, replica: 3
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -323.308053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.308053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.308053 (E_RNA)
where:
Base-Base interactions energy: -216.447
where: short stacking energy: -91.652
Base-Backbone interact. energy: -0.117
local terms energy: -106.744332
where:
bonds (distance) C4'-P energy: -18.557
bonds (distance) P-C4' energy: -22.281
flat angles C4'-P-C4' energy: -24.807
flat angles P-C4'-P energy: -12.383
tors. eta vs tors. theta energy: -28.717
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: 374
Temperature: 0.950000
Total energy: -330.933458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.933458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.933458 (E_RNA)
where:
Base-Base interactions energy: -226.667
where: short stacking energy: -99.101
Base-Backbone interact. energy: -0.129
local terms energy: -104.138233
where:
bonds (distance) C4'-P energy: -16.531
bonds (distance) P-C4' energy: -21.037
flat angles C4'-P-C4' energy: -22.938
flat angles P-C4'-P energy: -16.278
tors. eta vs tors. theta energy: -27.355
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: 6
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -296.770454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.770454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.770454 (E_RNA)
where:
Base-Base interactions energy: -199.470
where: short stacking energy: -83.305
Base-Backbone interact. energy: -0.008
local terms energy: -97.292168
where:
bonds (distance) C4'-P energy: -16.440
bonds (distance) P-C4' energy: -24.049
flat angles C4'-P-C4' energy: -18.200
flat angles P-C4'-P energy: -19.435
tors. eta vs tors. theta energy: -19.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -314.424136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.424136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.424136 (E_RNA)
where:
Base-Base interactions energy: -220.468
where: short stacking energy: -101.971
Base-Backbone interact. energy: -0.406
local terms energy: -93.549853
where:
bonds (distance) C4'-P energy: -19.640
bonds (distance) P-C4' energy: -13.847
flat angles C4'-P-C4' energy: -20.701
flat angles P-C4'-P energy: -13.821
tors. eta vs tors. theta energy: -25.540
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: 5, replica: 10
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -271.003745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.003745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.003745 (E_RNA)
where:
Base-Base interactions energy: -182.181
where: short stacking energy: -79.110
Base-Backbone interact. energy: 1.452
local terms energy: -90.274841
where:
bonds (distance) C4'-P energy: -20.481
bonds (distance) P-C4' energy: -21.396
flat angles C4'-P-C4' energy: -19.640
flat angles P-C4'-P energy: -10.793
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: 6, replica: 5
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -216.527096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.527096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.527096 (E_RNA)
where:
Base-Base interactions energy: -134.129
where: short stacking energy: -55.654
Base-Backbone interact. energy: -0.368
local terms energy: -82.030469
where:
bonds (distance) C4'-P energy: -16.056
bonds (distance) P-C4' energy: -19.961
flat angles C4'-P-C4' energy: -20.054
flat angles P-C4'-P energy: -7.619
tors. eta vs tors. theta energy: -18.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -218.644137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.644137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.644137 (E_RNA)
where:
Base-Base interactions energy: -142.662
where: short stacking energy: -60.787
Base-Backbone interact. energy: -0.530
local terms energy: -75.452032
where:
bonds (distance) C4'-P energy: -18.324
bonds (distance) P-C4' energy: -20.341
flat angles C4'-P-C4' energy: -16.907
flat angles P-C4'-P energy: -8.490
tors. eta vs tors. theta energy: -11.390
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: 8, replica: 1
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -178.407852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.407852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.407852 (E_RNA)
where:
Base-Base interactions energy: -107.340
where: short stacking energy: -56.343
Base-Backbone interact. energy: -0.132
local terms energy: -70.935082
where:
bonds (distance) C4'-P energy: -19.094
bonds (distance) P-C4' energy: -12.802
flat angles C4'-P-C4' energy: -16.727
flat angles P-C4'-P energy: -12.075
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: 9, replica: 9
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -104.941627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.941627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.941627 (E_RNA)
where:
Base-Base interactions energy: -46.073
where: short stacking energy: -26.338
Base-Backbone interact. energy: -0.481
local terms energy: -58.387706
where:
bonds (distance) C4'-P energy: -14.684
bonds (distance) P-C4' energy: -20.516
flat angles C4'-P-C4' energy: -15.634
flat angles P-C4'-P energy: -7.281
tors. eta vs tors. theta energy: -0.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -106.742721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.742721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.742721 (E_RNA)
where:
Base-Base interactions energy: -45.627
where: short stacking energy: -31.576
Base-Backbone interact. energy: -0.372
local terms energy: -60.743685
where:
bonds (distance) C4'-P energy: -14.204
bonds (distance) P-C4' energy: -18.026
flat angles C4'-P-C4' energy: -16.379
flat angles P-C4'-P energy: -11.618
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: 1, replica: 3
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -337.694375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.694375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.694375 (E_RNA)
where:
Base-Base interactions energy: -231.356
where: short stacking energy: -96.660
Base-Backbone interact. energy: 2.297
local terms energy: -108.635174
where:
bonds (distance) C4'-P energy: -18.949
bonds (distance) P-C4' energy: -24.572
flat angles C4'-P-C4' energy: -21.643
flat angles P-C4'-P energy: -17.151
tors. eta vs tors. theta energy: -26.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -320.796138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.796138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.796138 (E_RNA)
where:
Base-Base interactions energy: -222.057
where: short stacking energy: -93.090
Base-Backbone interact. energy: -0.090
local terms energy: -98.649092
where:
bonds (distance) C4'-P energy: -21.914
bonds (distance) P-C4' energy: -19.561
flat angles C4'-P-C4' energy: -20.532
flat angles P-C4'-P energy: -9.984
tors. eta vs tors. theta energy: -26.657
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: 6
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -290.773227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.773227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.773227 (E_RNA)
where:
Base-Base interactions energy: -201.666
where: short stacking energy: -82.385
Base-Backbone interact. energy: -0.030
local terms energy: -89.076633
where:
bonds (distance) C4'-P energy: -16.486
bonds (distance) P-C4' energy: -20.615
flat angles C4'-P-C4' energy: -17.799
flat angles P-C4'-P energy: -13.316
tors. eta vs tors. theta energy: -20.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -313.200802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.200802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.200802 (E_RNA)
where:
Base-Base interactions energy: -220.711
where: short stacking energy: -88.291
Base-Backbone interact. energy: -0.436
local terms energy: -92.053735
where:
bonds (distance) C4'-P energy: -19.829
bonds (distance) P-C4' energy: -16.198
flat angles C4'-P-C4' energy: -22.675
flat angles P-C4'-P energy: -10.506
tors. eta vs tors. theta energy: -22.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -269.235641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.235641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.235641 (E_RNA)
where:
Base-Base interactions energy: -182.656
where: short stacking energy: -78.107
Base-Backbone interact. energy: -0.273
local terms energy: -86.306026
where:
bonds (distance) C4'-P energy: -19.075
bonds (distance) P-C4' energy: -17.000
flat angles C4'-P-C4' energy: -13.368
flat angles P-C4'-P energy: -17.635
tors. eta vs tors. theta energy: -19.228
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: 8
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -237.064346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.064346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.064346 (E_RNA)
where:
Base-Base interactions energy: -157.975
where: short stacking energy: -65.551
Base-Backbone interact. energy: -0.057
local terms energy: -79.032782
where:
bonds (distance) C4'-P energy: -19.818
bonds (distance) P-C4' energy: -12.971
flat angles C4'-P-C4' energy: -17.455
flat angles P-C4'-P energy: -16.238
tors. eta vs tors. theta energy: -12.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -202.849554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.849554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.849554 (E_RNA)
where:
Base-Base interactions energy: -136.968
where: short stacking energy: -58.062
Base-Backbone interact. energy: 1.507
local terms energy: -67.388088
where:
bonds (distance) C4'-P energy: -13.479
bonds (distance) P-C4' energy: -16.749
flat angles C4'-P-C4' energy: -20.373
flat angles P-C4'-P energy: -7.939
tors. eta vs tors. theta energy: -8.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -191.049189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.049189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.049189 (E_RNA)
where:
Base-Base interactions energy: -120.581
where: short stacking energy: -51.260
Base-Backbone interact. energy: -0.164
local terms energy: -70.304034
where:
bonds (distance) C4'-P energy: -12.957
bonds (distance) P-C4' energy: -21.690
flat angles C4'-P-C4' energy: -18.363
flat angles P-C4'-P energy: -8.490
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: 9, replica: 9
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -145.658919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.658919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.658919 (E_RNA)
where:
Base-Base interactions energy: -82.604
where: short stacking energy: -36.744
Base-Backbone interact. energy: -0.282
local terms energy: -62.772122
where:
bonds (distance) C4'-P energy: -16.618
bonds (distance) P-C4' energy: -23.702
flat angles C4'-P-C4' energy: -12.372
flat angles P-C4'-P energy: -7.590
tors. eta vs tors. theta energy: -2.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -103.059617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.059617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.059617 (E_RNA)
where:
Base-Base interactions energy: -38.151
where: short stacking energy: -37.967
Base-Backbone interact. energy: -1.451
local terms energy: -63.457524
where:
bonds (distance) C4'-P energy: -17.577
bonds (distance) P-C4' energy: -20.772
flat angles C4'-P-C4' energy: -15.314
flat angles P-C4'-P energy: -11.341
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: 3
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -333.228716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.228716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.228716 (E_RNA)
where:
Base-Base interactions energy: -224.183
where: short stacking energy: -102.135
Base-Backbone interact. energy: -0.413
local terms energy: -108.632417
where:
bonds (distance) C4'-P energy: -18.627
bonds (distance) P-C4' energy: -21.855
flat angles C4'-P-C4' energy: -22.769
flat angles P-C4'-P energy: -14.974
tors. eta vs tors. theta energy: -30.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -324.077822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.077822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.077822 (E_RNA)
where:
Base-Base interactions energy: -225.466
where: short stacking energy: -99.471
Base-Backbone interact. energy: -0.097
local terms energy: -98.514695
where:
bonds (distance) C4'-P energy: -17.231
bonds (distance) P-C4' energy: -18.279
flat angles C4'-P-C4' energy: -20.759
flat angles P-C4'-P energy: -14.479
tors. eta vs tors. theta energy: -27.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -301.713847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.713847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.713847 (E_RNA)
where:
Base-Base interactions energy: -201.952
where: short stacking energy: -83.636
Base-Backbone interact. energy: 0.031
local terms energy: -99.792454
where:
bonds (distance) C4'-P energy: -19.813
bonds (distance) P-C4' energy: -21.626
flat angles C4'-P-C4' energy: -21.599
flat angles P-C4'-P energy: -14.990
tors. eta vs tors. theta energy: -21.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -303.974388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.974388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.974388 (E_RNA)
where:
Base-Base interactions energy: -199.089
where: short stacking energy: -83.313
Base-Backbone interact. energy: -0.448
local terms energy: -104.436692
where:
bonds (distance) C4'-P energy: -21.656
bonds (distance) P-C4' energy: -20.135
flat angles C4'-P-C4' energy: -24.602
flat angles P-C4'-P energy: -16.619
tors. eta vs tors. theta energy: -21.423
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: 5, replica: 10
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -256.315245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.315245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.315245 (E_RNA)
where:
Base-Base interactions energy: -177.082
where: short stacking energy: -65.501
Base-Backbone interact. energy: -0.311
local terms energy: -78.921670
where:
bonds (distance) C4'-P energy: -19.943
bonds (distance) P-C4' energy: -18.219
flat angles C4'-P-C4' energy: -20.207
flat angles P-C4'-P energy: -6.448
tors. eta vs tors. theta energy: -14.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -234.814717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.814717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.814717 (E_RNA)
where:
Base-Base interactions energy: -145.458
where: short stacking energy: -56.007
Base-Backbone interact. energy: -0.253
local terms energy: -89.103475
where:
bonds (distance) C4'-P energy: -19.480
bonds (distance) P-C4' energy: -21.491
flat angles C4'-P-C4' energy: -22.162
flat angles P-C4'-P energy: -16.891
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: 7, replica: 5
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -191.572233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.572233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.572233 (E_RNA)
where:
Base-Base interactions energy: -114.471
where: short stacking energy: -60.495
Base-Backbone interact. energy: -0.044
local terms energy: -77.056524
where:
bonds (distance) C4'-P energy: -17.561
bonds (distance) P-C4' energy: -19.874
flat angles C4'-P-C4' energy: -19.303
flat angles P-C4'-P energy: -2.800
tors. eta vs tors. theta energy: -17.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -199.811815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.811815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.811815 (E_RNA)
where:
Base-Base interactions energy: -129.348
where: short stacking energy: -57.852
Base-Backbone interact. energy: 0.668
local terms energy: -71.131327
where:
bonds (distance) C4'-P energy: -14.353
bonds (distance) P-C4' energy: -19.001
flat angles C4'-P-C4' energy: -13.180
flat angles P-C4'-P energy: -13.042
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: 9, replica: 9
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -133.220343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.220343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.220343 (E_RNA)
where:
Base-Base interactions energy: -62.327
where: short stacking energy: -38.365
Base-Backbone interact. energy: 0.914
local terms energy: -71.807604
where:
bonds (distance) C4'-P energy: -15.989
bonds (distance) P-C4' energy: -22.019
flat angles C4'-P-C4' energy: -22.273
flat angles P-C4'-P energy: -9.503
tors. eta vs tors. theta energy: -2.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -86.148942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.148942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.148942 (E_RNA)
where:
Base-Base interactions energy: -30.474
where: short stacking energy: -25.594
Base-Backbone interact. energy: -0.035
local terms energy: -55.640150
where:
bonds (distance) C4'-P energy: -17.968
bonds (distance) P-C4' energy: -19.478
flat angles C4'-P-C4' energy: -14.995
flat angles P-C4'-P energy: -8.242
tors. eta vs tors. theta energy: 5.042
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: 3
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -332.761075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.761075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.761075 (E_RNA)
where:
Base-Base interactions energy: -222.568
where: short stacking energy: -100.389
Base-Backbone interact. energy: -0.776
local terms energy: -109.417132
where:
bonds (distance) C4'-P energy: -20.223
bonds (distance) P-C4' energy: -24.643
flat angles C4'-P-C4' energy: -22.877
flat angles P-C4'-P energy: -13.254
tors. eta vs tors. theta energy: -28.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -329.543107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.543107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.543107 (E_RNA)
where:
Base-Base interactions energy: -221.925
where: short stacking energy: -97.714
Base-Backbone interact. energy: -0.245
local terms energy: -107.373328
where:
bonds (distance) C4'-P energy: -17.363
bonds (distance) P-C4' energy: -23.325
flat angles C4'-P-C4' energy: -22.440
flat angles P-C4'-P energy: -15.308
tors. eta vs tors. theta energy: -28.938
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: 6
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -288.964414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.964414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.964414 (E_RNA)
where:
Base-Base interactions energy: -198.748
where: short stacking energy: -81.706
Base-Backbone interact. energy: 0.608
local terms energy: -90.825146
where:
bonds (distance) C4'-P energy: -14.561
bonds (distance) P-C4' energy: -21.699
flat angles C4'-P-C4' energy: -22.571
flat angles P-C4'-P energy: -12.953
tors. eta vs tors. theta energy: -19.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -319.104802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.104802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.104802 (E_RNA)
where:
Base-Base interactions energy: -214.400
where: short stacking energy: -87.101
Base-Backbone interact. energy: -0.100
local terms energy: -104.604505
where:
bonds (distance) C4'-P energy: -20.895
bonds (distance) P-C4' energy: -19.520
flat angles C4'-P-C4' energy: -25.322
flat angles P-C4'-P energy: -14.798
tors. eta vs tors. theta energy: -24.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -271.726955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.726955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.726955 (E_RNA)
where:
Base-Base interactions energy: -195.725
where: short stacking energy: -77.305
Base-Backbone interact. energy: -0.411
local terms energy: -75.590577
where:
bonds (distance) C4'-P energy: -18.703
bonds (distance) P-C4' energy: -20.586
flat angles C4'-P-C4' energy: -16.745
flat angles P-C4'-P energy: -8.589
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: 6, replica: 5
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -187.669368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.669368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.669368 (E_RNA)
where:
Base-Base interactions energy: -99.615
where: short stacking energy: -65.717
Base-Backbone interact. energy: -0.112
local terms energy: -87.943320
where:
bonds (distance) C4'-P energy: -14.815
bonds (distance) P-C4' energy: -21.070
flat angles C4'-P-C4' energy: -21.097
flat angles P-C4'-P energy: -11.931
tors. eta vs tors. theta energy: -19.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -243.182149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.182149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.182149 (E_RNA)
where:
Base-Base interactions energy: -164.315
where: short stacking energy: -66.713
Base-Backbone interact. energy: 0.138
local terms energy: -79.005698
where:
bonds (distance) C4'-P energy: -11.749
bonds (distance) P-C4' energy: -19.939
flat angles C4'-P-C4' energy: -20.130
flat angles P-C4'-P energy: -10.566
tors. eta vs tors. theta energy: -16.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -189.163882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.163882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.163882 (E_RNA)
where:
Base-Base interactions energy: -125.527
where: short stacking energy: -51.325
Base-Backbone interact. energy: -1.311
local terms energy: -62.325104
where:
bonds (distance) C4'-P energy: -18.137
bonds (distance) P-C4' energy: -9.913
flat angles C4'-P-C4' energy: -16.332
flat angles P-C4'-P energy: -8.938
tors. eta vs tors. theta energy: -9.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -109.052438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.052438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.052438 (E_RNA)
where:
Base-Base interactions energy: -45.233
where: short stacking energy: -43.304
Base-Backbone interact. energy: -0.120
local terms energy: -63.699506
where:
bonds (distance) C4'-P energy: -19.242
bonds (distance) P-C4' energy: -20.853
flat angles C4'-P-C4' energy: -11.271
flat angles P-C4'-P energy: -7.338
tors. eta vs tors. theta energy: -4.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -108.016857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.016857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.016857 (E_RNA)
where:
Base-Base interactions energy: -50.709
where: short stacking energy: -37.851
Base-Backbone interact. energy: 0.062
local terms energy: -57.369937
where:
bonds (distance) C4'-P energy: -15.720
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -16.346
flat angles P-C4'-P energy: -9.197
tors. eta vs tors. theta energy: -2.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -338.048500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.048500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.048500 (E_RNA)
where:
Base-Base interactions energy: -231.447
where: short stacking energy: -98.335
Base-Backbone interact. energy: 0.365
local terms energy: -106.966666
where:
bonds (distance) C4'-P energy: -20.361
bonds (distance) P-C4' energy: -23.870
flat angles C4'-P-C4' energy: -20.580
flat angles P-C4'-P energy: -17.080
tors. eta vs tors. theta energy: -25.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -328.192253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.192253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.192253 (E_RNA)
where:
Base-Base interactions energy: -223.178
where: short stacking energy: -93.681
Base-Backbone interact. energy: -0.208
local terms energy: -104.805773
where:
bonds (distance) C4'-P energy: -17.397
bonds (distance) P-C4' energy: -22.786
flat angles C4'-P-C4' energy: -22.656
flat angles P-C4'-P energy: -13.983
tors. eta vs tors. theta energy: -27.983
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: 3, replica: 2
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -323.050527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.050527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.050527 (E_RNA)
where:
Base-Base interactions energy: -217.909
where: short stacking energy: -88.618
Base-Backbone interact. energy: 0.610
local terms energy: -105.750810
where:
bonds (distance) C4'-P energy: -22.787
bonds (distance) P-C4' energy: -20.543
flat angles C4'-P-C4' energy: -19.090
flat angles P-C4'-P energy: -15.783
tors. eta vs tors. theta energy: -27.549
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: 6
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -277.791964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.791964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.791964 (E_RNA)
where:
Base-Base interactions energy: -197.337
where: short stacking energy: -74.834
Base-Backbone interact. energy: -0.301
local terms energy: -80.153228
where:
bonds (distance) C4'-P energy: -15.729
bonds (distance) P-C4' energy: -21.493
flat angles C4'-P-C4' energy: -17.773
flat angles P-C4'-P energy: -7.808
tors. eta vs tors. theta energy: -17.350
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: 5, replica: 10
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -267.367303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.367303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.367303 (E_RNA)
where:
Base-Base interactions energy: -183.391
where: short stacking energy: -78.867
Base-Backbone interact. energy: -0.170
local terms energy: -83.806076
where:
bonds (distance) C4'-P energy: -17.934
bonds (distance) P-C4' energy: -20.370
flat angles C4'-P-C4' energy: -16.347
flat angles P-C4'-P energy: -13.129
tors. eta vs tors. theta energy: -16.025
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: 5
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -191.643189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.643189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.643189 (E_RNA)
where:
Base-Base interactions energy: -102.151
where: short stacking energy: -54.746
Base-Backbone interact. energy: 0.789
local terms energy: -90.281215
where:
bonds (distance) C4'-P energy: -21.386
bonds (distance) P-C4' energy: -23.110
flat angles C4'-P-C4' energy: -22.023
flat angles P-C4'-P energy: -13.387
tors. eta vs tors. theta energy: -10.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -162.759953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.759953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.759953 (E_RNA)
where:
Base-Base interactions energy: -89.254
where: short stacking energy: -46.324
Base-Backbone interact. energy: -0.463
local terms energy: -73.043179
where:
bonds (distance) C4'-P energy: -16.618
bonds (distance) P-C4' energy: -19.389
flat angles C4'-P-C4' energy: -13.271
flat angles P-C4'-P energy: -15.702
tors. eta vs tors. theta energy: -8.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -195.872055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.872055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.872055 (E_RNA)
where:
Base-Base interactions energy: -116.736
where: short stacking energy: -59.947
Base-Backbone interact. energy: -0.138
local terms energy: -78.997634
where:
bonds (distance) C4'-P energy: -19.225
bonds (distance) P-C4' energy: -23.790
flat angles C4'-P-C4' energy: -12.555
flat angles P-C4'-P energy: -11.675
tors. eta vs tors. theta energy: -11.752
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: 4
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -141.347964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.347964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.347964 (E_RNA)
where:
Base-Base interactions energy: -80.020
where: short stacking energy: -38.380
Base-Backbone interact. energy: -0.101
local terms energy: -61.226796
where:
bonds (distance) C4'-P energy: -15.136
bonds (distance) P-C4' energy: -17.291
flat angles C4'-P-C4' energy: -12.218
flat angles P-C4'-P energy: -4.440
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: 10, replica: 9
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -107.504880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.504880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.504880 (E_RNA)
where:
Base-Base interactions energy: -39.770
where: short stacking energy: -40.370
Base-Backbone interact. energy: -0.146
local terms energy: -67.589040
where:
bonds (distance) C4'-P energy: -20.211
bonds (distance) P-C4' energy: -17.570
flat angles C4'-P-C4' energy: -14.629
flat angles P-C4'-P energy: -7.265
tors. eta vs tors. theta energy: -7.915
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: 1, replica: 7
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -328.952099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.952099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.952099 (E_RNA)
where:
Base-Base interactions energy: -228.625
where: short stacking energy: -102.945
Base-Backbone interact. energy: -0.073
local terms energy: -100.254709
where:
bonds (distance) C4'-P energy: -19.883
bonds (distance) P-C4' energy: -19.907
flat angles C4'-P-C4' energy: -19.358
flat angles P-C4'-P energy: -11.204
tors. eta vs tors. theta energy: -29.903
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: 2
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -317.510628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.510628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.510628 (E_RNA)
where:
Base-Base interactions energy: -221.623
where: short stacking energy: -95.175
Base-Backbone interact. energy: -0.188
local terms energy: -95.698724
where:
bonds (distance) C4'-P energy: -18.502
bonds (distance) P-C4' energy: -13.148
flat angles C4'-P-C4' energy: -25.258
flat angles P-C4'-P energy: -15.133
tors. eta vs tors. theta energy: -23.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -315.862636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.862636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.862636 (E_RNA)
where:
Base-Base interactions energy: -218.393
where: short stacking energy: -94.254
Base-Backbone interact. energy: -0.503
local terms energy: -96.966244
where:
bonds (distance) C4'-P energy: -16.857
bonds (distance) P-C4' energy: -22.042
flat angles C4'-P-C4' energy: -23.082
flat angles P-C4'-P energy: -8.145
tors. eta vs tors. theta energy: -26.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -269.564374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.564374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.564374 (E_RNA)
where:
Base-Base interactions energy: -179.542
where: short stacking energy: -76.909
Base-Backbone interact. energy: -0.191
local terms energy: -89.830717
where:
bonds (distance) C4'-P energy: -19.441
bonds (distance) P-C4' energy: -23.800
flat angles C4'-P-C4' energy: -13.628
flat angles P-C4'-P energy: -14.339
tors. eta vs tors. theta energy: -18.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -248.293199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.293199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.293199 (E_RNA)
where:
Base-Base interactions energy: -162.828
where: short stacking energy: -57.197
Base-Backbone interact. energy: -0.391
local terms energy: -85.074508
where:
bonds (distance) C4'-P energy: -18.845
bonds (distance) P-C4' energy: -17.983
flat angles C4'-P-C4' energy: -20.862
flat angles P-C4'-P energy: -15.120
tors. eta vs tors. theta energy: -12.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -200.313327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.313327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.313327 (E_RNA)
where:
Base-Base interactions energy: -114.101
where: short stacking energy: -60.200
Base-Backbone interact. energy: -0.369
local terms energy: -85.843733
where:
bonds (distance) C4'-P energy: -18.759
bonds (distance) P-C4' energy: -18.570
flat angles C4'-P-C4' energy: -19.431
flat angles P-C4'-P energy: -10.936
tors. eta vs tors. theta energy: -18.148
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: 5
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -174.514070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.514070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.514070 (E_RNA)
where:
Base-Base interactions energy: -106.637
where: short stacking energy: -60.039
Base-Backbone interact. energy: -0.039
local terms energy: -67.838169
where:
bonds (distance) C4'-P energy: -13.131
bonds (distance) P-C4' energy: -17.077
flat angles C4'-P-C4' energy: -11.530
flat angles P-C4'-P energy: -12.346
tors. eta vs tors. theta energy: -13.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -160.325723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.325723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.325723 (E_RNA)
where:
Base-Base interactions energy: -88.604
where: short stacking energy: -49.887
Base-Backbone interact. energy: -0.062
local terms energy: -71.660011
where:
bonds (distance) C4'-P energy: -19.449
bonds (distance) P-C4' energy: -18.652
flat angles C4'-P-C4' energy: -16.360
flat angles P-C4'-P energy: -7.739
tors. eta vs tors. theta energy: -9.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -165.725587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.725587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.725587 (E_RNA)
where:
Base-Base interactions energy: -95.167
where: short stacking energy: -44.523
Base-Backbone interact. energy: 1.873
local terms energy: -72.431948
where:
bonds (distance) C4'-P energy: -16.379
bonds (distance) P-C4' energy: -19.710
flat angles C4'-P-C4' energy: -14.232
flat angles P-C4'-P energy: -9.506
tors. eta vs tors. theta energy: -12.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -98.535575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.535575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.535575 (E_RNA)
where:
Base-Base interactions energy: -37.305
where: short stacking energy: -33.867
Base-Backbone interact. energy: 1.703
local terms energy: -62.934307
where:
bonds (distance) C4'-P energy: -19.141
bonds (distance) P-C4' energy: -22.971
flat angles C4'-P-C4' energy: -10.664
flat angles P-C4'-P energy: -11.873
tors. eta vs tors. theta energy: 1.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -327.855876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.855876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.855876 (E_RNA)
where:
Base-Base interactions energy: -216.754
where: short stacking energy: -93.362
Base-Backbone interact. energy: -0.137
local terms energy: -110.964762
where:
bonds (distance) C4'-P energy: -21.292
bonds (distance) P-C4' energy: -24.396
flat angles C4'-P-C4' energy: -21.795
flat angles P-C4'-P energy: -17.496
tors. eta vs tors. theta energy: -25.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -325.148915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.148915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.148915 (E_RNA)
where:
Base-Base interactions energy: -221.377
where: short stacking energy: -97.905
Base-Backbone interact. energy: -0.098
local terms energy: -103.673917
where:
bonds (distance) C4'-P energy: -18.298
bonds (distance) P-C4' energy: -23.265
flat angles C4'-P-C4' energy: -20.203
flat angles P-C4'-P energy: -16.539
tors. eta vs tors. theta energy: -25.370
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: 10
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -271.568329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.568329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.568329 (E_RNA)
where:
Base-Base interactions energy: -168.389
where: short stacking energy: -73.419
Base-Backbone interact. energy: -0.508
local terms energy: -102.671570
where:
bonds (distance) C4'-P energy: -15.429
bonds (distance) P-C4' energy: -24.435
flat angles C4'-P-C4' energy: -23.121
flat angles P-C4'-P energy: -14.647
tors. eta vs tors. theta energy: -25.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -305.892198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.892198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.892198 (E_RNA)
where:
Base-Base interactions energy: -201.363
where: short stacking energy: -81.593
Base-Backbone interact. energy: -1.163
local terms energy: -103.366849
where:
bonds (distance) C4'-P energy: -17.036
bonds (distance) P-C4' energy: -23.119
flat angles C4'-P-C4' energy: -22.882
flat angles P-C4'-P energy: -14.935
tors. eta vs tors. theta energy: -25.395
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: 5, replica: 6
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -267.364735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.364735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.364735 (E_RNA)
where:
Base-Base interactions energy: -172.289
where: short stacking energy: -80.310
Base-Backbone interact. energy: -0.209
local terms energy: -94.866820
where:
bonds (distance) C4'-P energy: -18.651
bonds (distance) P-C4' energy: -21.497
flat angles C4'-P-C4' energy: -15.941
flat angles P-C4'-P energy: -17.910
tors. eta vs tors. theta energy: -20.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -198.194722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.194722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.194722 (E_RNA)
where:
Base-Base interactions energy: -119.966
where: short stacking energy: -54.528
Base-Backbone interact. energy: -0.103
local terms energy: -78.125672
where:
bonds (distance) C4'-P energy: -20.107
bonds (distance) P-C4' energy: -14.794
flat angles C4'-P-C4' energy: -18.888
flat angles P-C4'-P energy: -11.446
tors. eta vs tors. theta energy: -12.892
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: 4
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -193.955102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.955102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.955102 (E_RNA)
where:
Base-Base interactions energy: -128.570
where: short stacking energy: -51.872
Base-Backbone interact. energy: -0.196
local terms energy: -65.189022
where:
bonds (distance) C4'-P energy: -14.204
bonds (distance) P-C4' energy: -16.531
flat angles C4'-P-C4' energy: -21.931
flat angles P-C4'-P energy: -2.239
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: 5
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -170.753527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.753527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.753527 (E_RNA)
where:
Base-Base interactions energy: -95.823
where: short stacking energy: -47.148
Base-Backbone interact. energy: 0.311
local terms energy: -75.240958
where:
bonds (distance) C4'-P energy: -10.054
bonds (distance) P-C4' energy: -22.476
flat angles C4'-P-C4' energy: -21.013
flat angles P-C4'-P energy: -14.124
tors. eta vs tors. theta energy: -7.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -144.713691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.713691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.713691 (E_RNA)
where:
Base-Base interactions energy: -84.203
where: short stacking energy: -41.386
Base-Backbone interact. energy: -0.647
local terms energy: -59.863436
where:
bonds (distance) C4'-P energy: -17.021
bonds (distance) P-C4' energy: -21.703
flat angles C4'-P-C4' energy: -16.429
flat angles P-C4'-P energy: -7.501
tors. eta vs tors. theta energy: 2.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -97.744106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.744106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.744106 (E_RNA)
where:
Base-Base interactions energy: -32.334
where: short stacking energy: -32.334
Base-Backbone interact. energy: -0.321
local terms energy: -65.089168
where:
bonds (distance) C4'-P energy: -14.688
bonds (distance) P-C4' energy: -14.709
flat angles C4'-P-C4' energy: -19.319
flat angles P-C4'-P energy: -12.301
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: 1, replica: 2
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -329.542646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.542646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.542646 (E_RNA)
where:
Base-Base interactions energy: -222.766
where: short stacking energy: -95.745
Base-Backbone interact. energy: -0.601
local terms energy: -106.175756
where:
bonds (distance) C4'-P energy: -20.413
bonds (distance) P-C4' energy: -15.568
flat angles C4'-P-C4' energy: -22.937
flat angles P-C4'-P energy: -17.369
tors. eta vs tors. theta energy: -29.889
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: 7
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -325.864549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.864549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.864549 (E_RNA)
where:
Base-Base interactions energy: -221.397
where: short stacking energy: -99.540
Base-Backbone interact. energy: -0.101
local terms energy: -104.366981
where:
bonds (distance) C4'-P energy: -18.479
bonds (distance) P-C4' energy: -18.765
flat angles C4'-P-C4' energy: -23.934
flat angles P-C4'-P energy: -15.078
tors. eta vs tors. theta energy: -28.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -266.695825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.695825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.695825 (E_RNA)
where:
Base-Base interactions energy: -170.297
where: short stacking energy: -69.720
Base-Backbone interact. energy: -0.111
local terms energy: -96.288495
where:
bonds (distance) C4'-P energy: -18.717
bonds (distance) P-C4' energy: -21.252
flat angles C4'-P-C4' energy: -19.228
flat angles P-C4'-P energy: -17.267
tors. eta vs tors. theta energy: -19.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -312.195433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.195433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.195433 (E_RNA)
where:
Base-Base interactions energy: -217.304
where: short stacking energy: -88.716
Base-Backbone interact. energy: -0.097
local terms energy: -94.794564
where:
bonds (distance) C4'-P energy: -21.089
bonds (distance) P-C4' energy: -14.604
flat angles C4'-P-C4' energy: -21.744
flat angles P-C4'-P energy: -12.244
tors. eta vs tors. theta energy: -25.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -257.895008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.895008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.895008 (E_RNA)
where:
Base-Base interactions energy: -177.179
where: short stacking energy: -72.869
Base-Backbone interact. energy: 1.718
local terms energy: -82.433902
where:
bonds (distance) C4'-P energy: -10.676
bonds (distance) P-C4' energy: -17.003
flat angles C4'-P-C4' energy: -21.035
flat angles P-C4'-P energy: -15.173
tors. eta vs tors. theta energy: -18.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -207.873082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.873082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.873082 (E_RNA)
where:
Base-Base interactions energy: -129.402
where: short stacking energy: -64.356
Base-Backbone interact. energy: -0.516
local terms energy: -77.955585
where:
bonds (distance) C4'-P energy: -19.801
bonds (distance) P-C4' energy: -22.402
flat angles C4'-P-C4' energy: -14.088
flat angles P-C4'-P energy: -11.018
tors. eta vs tors. theta energy: -10.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -172.909397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.909397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.909397 (E_RNA)
where:
Base-Base interactions energy: -99.933
where: short stacking energy: -58.256
Base-Backbone interact. energy: -0.039
local terms energy: -72.937952
where:
bonds (distance) C4'-P energy: -11.138
bonds (distance) P-C4' energy: -19.277
flat angles C4'-P-C4' energy: -15.621
flat angles P-C4'-P energy: -16.665
tors. eta vs tors. theta energy: -10.238
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: 5
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -163.215223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.215223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.215223 (E_RNA)
where:
Base-Base interactions energy: -92.681
where: short stacking energy: -40.493
Base-Backbone interact. energy: -0.315
local terms energy: -70.219657
where:
bonds (distance) C4'-P energy: -16.382
bonds (distance) P-C4' energy: -16.992
flat angles C4'-P-C4' energy: -23.510
flat angles P-C4'-P energy: -7.716
tors. eta vs tors. theta energy: -5.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -182.567449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.567449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.567449 (E_RNA)
where:
Base-Base interactions energy: -111.272
where: short stacking energy: -59.046
Base-Backbone interact. energy: -0.277
local terms energy: -71.018360
where:
bonds (distance) C4'-P energy: -14.370
bonds (distance) P-C4' energy: -16.774
flat angles C4'-P-C4' energy: -19.501
flat angles P-C4'-P energy: -9.496
tors. eta vs tors. theta energy: -10.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -97.033751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.033751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.033751 (E_RNA)
where:
Base-Base interactions energy: -33.936
where: short stacking energy: -27.255
Base-Backbone interact. energy: -0.441
local terms energy: -62.656154
where:
bonds (distance) C4'-P energy: -21.023
bonds (distance) P-C4' energy: -17.052
flat angles C4'-P-C4' energy: -15.652
flat angles P-C4'-P energy: -8.189
tors. eta vs tors. theta energy: -0.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -339.396955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.396955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.396955 (E_RNA)
where:
Base-Base interactions energy: -236.117
where: short stacking energy: -95.483
Base-Backbone interact. energy: -0.257
local terms energy: -103.022733
where:
bonds (distance) C4'-P energy: -19.334
bonds (distance) P-C4' energy: -19.332
flat angles C4'-P-C4' energy: -23.213
flat angles P-C4'-P energy: -17.618
tors. eta vs tors. theta energy: -23.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -327.075048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.075048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.075048 (E_RNA)
where:
Base-Base interactions energy: -222.608
where: short stacking energy: -86.302
Base-Backbone interact. energy: -0.688
local terms energy: -103.779212
where:
bonds (distance) C4'-P energy: -22.526
bonds (distance) P-C4' energy: -22.095
flat angles C4'-P-C4' energy: -21.386
flat angles P-C4'-P energy: -14.832
tors. eta vs tors. theta energy: -22.939
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: 3
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -306.766429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.766429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.766429 (E_RNA)
where:
Base-Base interactions energy: -215.147
where: short stacking energy: -88.380
Base-Backbone interact. energy: -0.289
local terms energy: -91.330616
where:
bonds (distance) C4'-P energy: -16.324
bonds (distance) P-C4' energy: -20.599
flat angles C4'-P-C4' energy: -21.966
flat angles P-C4'-P energy: -6.880
tors. eta vs tors. theta energy: -25.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -284.272984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.272984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.272984 (E_RNA)
where:
Base-Base interactions energy: -202.876
where: short stacking energy: -77.381
Base-Backbone interact. energy: -0.609
local terms energy: -80.787590
where:
bonds (distance) C4'-P energy: -17.048
bonds (distance) P-C4' energy: -21.489
flat angles C4'-P-C4' energy: -17.678
flat angles P-C4'-P energy: -9.051
tors. eta vs tors. theta energy: -15.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -272.762666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.762666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.762666 (E_RNA)
where:
Base-Base interactions energy: -179.800
where: short stacking energy: -81.397
Base-Backbone interact. energy: -1.369
local terms energy: -91.593944
where:
bonds (distance) C4'-P energy: -14.001
bonds (distance) P-C4' energy: -22.968
flat angles C4'-P-C4' energy: -20.345
flat angles P-C4'-P energy: -14.084
tors. eta vs tors. theta energy: -20.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -204.821509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.821509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.821509 (E_RNA)
where:
Base-Base interactions energy: -132.562
where: short stacking energy: -61.496
Base-Backbone interact. energy: -0.264
local terms energy: -71.995137
where:
bonds (distance) C4'-P energy: -16.001
bonds (distance) P-C4' energy: -15.168
flat angles C4'-P-C4' energy: -21.289
flat angles P-C4'-P energy: -13.580
tors. eta vs tors. theta energy: -5.958
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: 5
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -200.463597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.463597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.463597 (E_RNA)
where:
Base-Base interactions energy: -124.540
where: short stacking energy: -60.482
Base-Backbone interact. energy: -0.029
local terms energy: -75.894425
where:
bonds (distance) C4'-P energy: -17.886
bonds (distance) P-C4' energy: -20.624
flat angles C4'-P-C4' energy: -17.188
flat angles P-C4'-P energy: -5.036
tors. eta vs tors. theta energy: -15.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -140.755707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.755707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.755707 (E_RNA)
where:
Base-Base interactions energy: -83.473
where: short stacking energy: -40.710
Base-Backbone interact. energy: -0.331
local terms energy: -56.952084
where:
bonds (distance) C4'-P energy: -14.519
bonds (distance) P-C4' energy: -18.454
flat angles C4'-P-C4' energy: -13.796
flat angles P-C4'-P energy: -10.797
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: 9, replica: 8
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -157.240546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.240546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.240546 (E_RNA)
where:
Base-Base interactions energy: -97.085
where: short stacking energy: -50.787
Base-Backbone interact. energy: -0.401
local terms energy: -59.755033
where:
bonds (distance) C4'-P energy: -17.022
bonds (distance) P-C4' energy: -19.846
flat angles C4'-P-C4' energy: -17.880
flat angles P-C4'-P energy: -1.432
tors. eta vs tors. theta energy: -3.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -93.757761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.757761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.757761 (E_RNA)
where:
Base-Base interactions energy: -31.505
where: short stacking energy: -31.505
Base-Backbone interact. energy: -0.227
local terms energy: -62.026366
where:
bonds (distance) C4'-P energy: -16.845
bonds (distance) P-C4' energy: -21.458
flat angles C4'-P-C4' energy: -16.563
flat angles P-C4'-P energy: -9.367
tors. eta vs tors. theta energy: 2.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -329.125936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.125936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.125936 (E_RNA)
where:
Base-Base interactions energy: -233.975
where: short stacking energy: -103.873
Base-Backbone interact. energy: -0.154
local terms energy: -94.996840
where:
bonds (distance) C4'-P energy: -12.845
bonds (distance) P-C4' energy: -17.894
flat angles C4'-P-C4' energy: -23.165
flat angles P-C4'-P energy: -12.541
tors. eta vs tors. theta energy: -28.552
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: 2
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -321.044996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.044996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.044996 (E_RNA)
where:
Base-Base interactions energy: -226.481
where: short stacking energy: -92.170
Base-Backbone interact. energy: 0.986
local terms energy: -95.549857
where:
bonds (distance) C4'-P energy: -16.677
bonds (distance) P-C4' energy: -22.511
flat angles C4'-P-C4' energy: -20.546
flat angles P-C4'-P energy: -13.320
tors. eta vs tors. theta energy: -22.497
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: 3, replica: 3
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -316.791850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.791850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.791850 (E_RNA)
where:
Base-Base interactions energy: -218.893
where: short stacking energy: -90.941
Base-Backbone interact. energy: -0.114
local terms energy: -97.784729
where:
bonds (distance) C4'-P energy: -19.126
bonds (distance) P-C4' energy: -20.133
flat angles C4'-P-C4' energy: -19.945
flat angles P-C4'-P energy: -10.422
tors. eta vs tors. theta energy: -28.158
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: 6
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -294.430522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.430522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.430522 (E_RNA)
where:
Base-Base interactions energy: -192.805
where: short stacking energy: -86.259
Base-Backbone interact. energy: -0.064
local terms energy: -101.561706
where:
bonds (distance) C4'-P energy: -21.842
bonds (distance) P-C4' energy: -19.309
flat angles C4'-P-C4' energy: -21.368
flat angles P-C4'-P energy: -14.176
tors. eta vs tors. theta energy: -24.868
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: 383
Temperature: 1.100000
Total energy: -269.069227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.069227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.069227 (E_RNA)
where:
Base-Base interactions energy: -180.541
where: short stacking energy: -68.649
Base-Backbone interact. energy: 0.910
local terms energy: -89.437778
where:
bonds (distance) C4'-P energy: -19.404
bonds (distance) P-C4' energy: -15.200
flat angles C4'-P-C4' energy: -23.132
flat angles P-C4'-P energy: -13.623
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: 6, replica: 5
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -185.552024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.552024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.552024 (E_RNA)
where:
Base-Base interactions energy: -107.491
where: short stacking energy: -52.825
Base-Backbone interact. energy: -0.513
local terms energy: -77.547405
where:
bonds (distance) C4'-P energy: -17.583
bonds (distance) P-C4' energy: -17.012
flat angles C4'-P-C4' energy: -16.952
flat angles P-C4'-P energy: -13.587
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: 7, replica: 4
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -223.500838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.500838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.500838 (E_RNA)
where:
Base-Base interactions energy: -141.220
where: short stacking energy: -63.929
Base-Backbone interact. energy: -0.291
local terms energy: -81.989548
where:
bonds (distance) C4'-P energy: -15.885
bonds (distance) P-C4' energy: -19.237
flat angles C4'-P-C4' energy: -20.335
flat angles P-C4'-P energy: -11.792
tors. eta vs tors. theta energy: -14.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -173.192454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.192454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.192454 (E_RNA)
where:
Base-Base interactions energy: -106.926
where: short stacking energy: -46.019
Base-Backbone interact. energy: 0.491
local terms energy: -66.757694
where:
bonds (distance) C4'-P energy: -18.833
bonds (distance) P-C4' energy: -10.128
flat angles C4'-P-C4' energy: -14.731
flat angles P-C4'-P energy: -11.221
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: 9, replica: 1
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -108.209525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.209525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.209525 (E_RNA)
where:
Base-Base interactions energy: -51.995
where: short stacking energy: -22.870
Base-Backbone interact. energy: -0.577
local terms energy: -55.638350
where:
bonds (distance) C4'-P energy: -13.819
bonds (distance) P-C4' energy: -19.340
flat angles C4'-P-C4' energy: -10.320
flat angles P-C4'-P energy: -8.729
tors. eta vs tors. theta energy: -3.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -102.563452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.563452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.563452 (E_RNA)
where:
Base-Base interactions energy: -37.008
where: short stacking energy: -28.549
Base-Backbone interact. energy: 0.549
local terms energy: -66.104661
where:
bonds (distance) C4'-P energy: -21.775
bonds (distance) P-C4' energy: -20.372
flat angles C4'-P-C4' energy: -16.294
flat angles P-C4'-P energy: -2.682
tors. eta vs tors. theta energy: -4.981
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: 1, replica: 2
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -339.588517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.588517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.588517 (E_RNA)
where:
Base-Base interactions energy: -234.285
where: short stacking energy: -91.757
Base-Backbone interact. energy: -0.210
local terms energy: -105.093940
where:
bonds (distance) C4'-P energy: -19.996
bonds (distance) P-C4' energy: -20.859
flat angles C4'-P-C4' energy: -20.540
flat angles P-C4'-P energy: -15.462
tors. eta vs tors. theta energy: -28.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -322.251149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.251149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.251149 (E_RNA)
where:
Base-Base interactions energy: -220.669
where: short stacking energy: -93.882
Base-Backbone interact. energy: -0.172
local terms energy: -101.410533
where:
bonds (distance) C4'-P energy: -19.417
bonds (distance) P-C4' energy: -21.186
flat angles C4'-P-C4' energy: -17.748
flat angles P-C4'-P energy: -14.846
tors. eta vs tors. theta energy: -28.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -323.343708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.343708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.343708 (E_RNA)
where:
Base-Base interactions energy: -220.095
where: short stacking energy: -95.700
Base-Backbone interact. energy: -0.802
local terms energy: -102.446629
where:
bonds (distance) C4'-P energy: -18.481
bonds (distance) P-C4' energy: -23.619
flat angles C4'-P-C4' energy: -17.690
flat angles P-C4'-P energy: -16.416
tors. eta vs tors. theta energy: -26.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -288.820053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.820053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.820053 (E_RNA)
where:
Base-Base interactions energy: -195.694
where: short stacking energy: -81.464
Base-Backbone interact. energy: -0.259
local terms energy: -92.866665
where:
bonds (distance) C4'-P energy: -19.723
bonds (distance) P-C4' energy: -19.604
flat angles C4'-P-C4' energy: -20.372
flat angles P-C4'-P energy: -8.508
tors. eta vs tors. theta energy: -24.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -281.406122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.406122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.406122 (E_RNA)
where:
Base-Base interactions energy: -191.119
where: short stacking energy: -79.550
Base-Backbone interact. energy: -0.074
local terms energy: -90.212922
where:
bonds (distance) C4'-P energy: -20.923
bonds (distance) P-C4' energy: -21.960
flat angles C4'-P-C4' energy: -17.125
flat angles P-C4'-P energy: -12.868
tors. eta vs tors. theta energy: -17.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -200.597010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.597010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.597010 (E_RNA)
where:
Base-Base interactions energy: -118.271
where: short stacking energy: -67.690
Base-Backbone interact. energy: -0.489
local terms energy: -81.837406
where:
bonds (distance) C4'-P energy: -15.887
bonds (distance) P-C4' energy: -19.316
flat angles C4'-P-C4' energy: -20.532
flat angles P-C4'-P energy: -14.835
tors. eta vs tors. theta energy: -11.269
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: 7, replica: 4
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -204.012459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.012459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.012459 (E_RNA)
where:
Base-Base interactions energy: -126.951
where: short stacking energy: -55.041
Base-Backbone interact. energy: 0.880
local terms energy: -77.941380
where:
bonds (distance) C4'-P energy: -17.890
bonds (distance) P-C4' energy: -14.344
flat angles C4'-P-C4' energy: -15.827
flat angles P-C4'-P energy: -13.393
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: 8, replica: 8
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -166.263443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.263443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.263443 (E_RNA)
where:
Base-Base interactions energy: -89.890
where: short stacking energy: -55.431
Base-Backbone interact. energy: -0.187
local terms energy: -76.186243
where:
bonds (distance) C4'-P energy: -18.728
bonds (distance) P-C4' energy: -17.282
flat angles C4'-P-C4' energy: -22.392
flat angles P-C4'-P energy: -7.885
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: 9, replica: 1
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -110.335898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.335898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.335898 (E_RNA)
where:
Base-Base interactions energy: -36.009
where: short stacking energy: -32.081
Base-Backbone interact. energy: -0.145
local terms energy: -74.181604
where:
bonds (distance) C4'-P energy: -19.259
bonds (distance) P-C4' energy: -14.196
flat angles C4'-P-C4' energy: -21.874
flat angles P-C4'-P energy: -18.002
tors. eta vs tors. theta energy: -0.851
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: 9
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -102.786698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.786698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.786698 (E_RNA)
where:
Base-Base interactions energy: -37.358
where: short stacking energy: -37.358
Base-Backbone interact. energy: -0.370
local terms energy: -65.058710
where:
bonds (distance) C4'-P energy: -15.258
bonds (distance) P-C4' energy: -20.503
flat angles C4'-P-C4' energy: -12.961
flat angles P-C4'-P energy: -16.436
tors. eta vs tors. theta energy: 0.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -334.349553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.349553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.349553 (E_RNA)
where:
Base-Base interactions energy: -228.989
where: short stacking energy: -95.798
Base-Backbone interact. energy: -0.350
local terms energy: -105.010220
where:
bonds (distance) C4'-P energy: -19.380
bonds (distance) P-C4' energy: -21.791
flat angles C4'-P-C4' energy: -22.545
flat angles P-C4'-P energy: -14.527
tors. eta vs tors. theta energy: -26.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -325.828696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.828696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.828696 (E_RNA)
where:
Base-Base interactions energy: -215.833
where: short stacking energy: -97.588
Base-Backbone interact. energy: -1.193
local terms energy: -108.802889
where:
bonds (distance) C4'-P energy: -19.934
bonds (distance) P-C4' energy: -20.130
flat angles C4'-P-C4' energy: -22.086
flat angles P-C4'-P energy: -16.816
tors. eta vs tors. theta energy: -29.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -320.983070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.983070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.983070 (E_RNA)
where:
Base-Base interactions energy: -224.526
where: short stacking energy: -88.817
Base-Backbone interact. energy: 0.603
local terms energy: -97.059539
where:
bonds (distance) C4'-P energy: -18.715
bonds (distance) P-C4' energy: -21.259
flat angles C4'-P-C4' energy: -19.247
flat angles P-C4'-P energy: -13.021
tors. eta vs tors. theta energy: -24.816
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: 4, replica: 6
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -287.710289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.710289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.710289 (E_RNA)
where:
Base-Base interactions energy: -184.977
where: short stacking energy: -78.309
Base-Backbone interact. energy: -0.720
local terms energy: -102.013097
where:
bonds (distance) C4'-P energy: -20.103
bonds (distance) P-C4' energy: -22.796
flat angles C4'-P-C4' energy: -21.451
flat angles P-C4'-P energy: -12.012
tors. eta vs tors. theta energy: -25.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -285.708276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.708276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.708276 (E_RNA)
where:
Base-Base interactions energy: -201.059
where: short stacking energy: -80.303
Base-Backbone interact. energy: -0.212
local terms energy: -84.437096
where:
bonds (distance) C4'-P energy: -20.128
bonds (distance) P-C4' energy: -11.911
flat angles C4'-P-C4' energy: -15.369
flat angles P-C4'-P energy: -12.177
tors. eta vs tors. theta energy: -24.852
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: 4
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -202.030147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.030147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.030147 (E_RNA)
where:
Base-Base interactions energy: -136.898
where: short stacking energy: -55.801
Base-Backbone interact. energy: -0.116
local terms energy: -65.015933
where:
bonds (distance) C4'-P energy: -13.413
bonds (distance) P-C4' energy: -10.714
flat angles C4'-P-C4' energy: -19.630
flat angles P-C4'-P energy: -10.351
tors. eta vs tors. theta energy: -10.909
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: 5
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -200.439349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.439349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.439349 (E_RNA)
where:
Base-Base interactions energy: -122.036
where: short stacking energy: -57.655
Base-Backbone interact. energy: 0.687
local terms energy: -79.090664
where:
bonds (distance) C4'-P energy: -18.347
bonds (distance) P-C4' energy: -18.877
flat angles C4'-P-C4' energy: -19.987
flat angles P-C4'-P energy: -12.293
tors. eta vs tors. theta energy: -9.588
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: 8
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -168.765621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.765621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.765621 (E_RNA)
where:
Base-Base interactions energy: -106.877
where: short stacking energy: -58.925
Base-Backbone interact. energy: -0.251
local terms energy: -61.637941
where:
bonds (distance) C4'-P energy: -16.231
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -10.471
flat angles P-C4'-P energy: -8.161
tors. eta vs tors. theta energy: -9.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -114.692395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.692395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.692395 (E_RNA)
where:
Base-Base interactions energy: -51.972
where: short stacking energy: -35.635
Base-Backbone interact. energy: -1.300
local terms energy: -61.421175
where:
bonds (distance) C4'-P energy: -19.537
bonds (distance) P-C4' energy: -17.127
flat angles C4'-P-C4' energy: -12.700
flat angles P-C4'-P energy: -10.273
tors. eta vs tors. theta energy: -1.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -112.552947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.552947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.552947 (E_RNA)
where:
Base-Base interactions energy: -39.462
where: short stacking energy: -35.737
Base-Backbone interact. energy: -0.108
local terms energy: -72.982578
where:
bonds (distance) C4'-P energy: -19.068
bonds (distance) P-C4' energy: -20.662
flat angles C4'-P-C4' energy: -17.352
flat angles P-C4'-P energy: -6.235
tors. eta vs tors. theta energy: -9.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -327.822897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.822897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.822897 (E_RNA)
where:
Base-Base interactions energy: -220.369
where: short stacking energy: -96.917
Base-Backbone interact. energy: -1.073
local terms energy: -106.381327
where:
bonds (distance) C4'-P energy: -22.289
bonds (distance) P-C4' energy: -20.883
flat angles C4'-P-C4' energy: -22.940
flat angles P-C4'-P energy: -11.365
tors. eta vs tors. theta energy: -28.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -324.749979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.749979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.749979 (E_RNA)
where:
Base-Base interactions energy: -229.731
where: short stacking energy: -95.418
Base-Backbone interact. energy: -0.464
local terms energy: -94.554646
where:
bonds (distance) C4'-P energy: -16.458
bonds (distance) P-C4' energy: -21.146
flat angles C4'-P-C4' energy: -16.974
flat angles P-C4'-P energy: -15.340
tors. eta vs tors. theta energy: -24.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -327.395328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.395328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.395328 (E_RNA)
where:
Base-Base interactions energy: -218.397
where: short stacking energy: -93.748
Base-Backbone interact. energy: -0.087
local terms energy: -108.911750
where:
bonds (distance) C4'-P energy: -20.162
bonds (distance) P-C4' energy: -25.259
flat angles C4'-P-C4' energy: -22.080
flat angles P-C4'-P energy: -14.671
tors. eta vs tors. theta energy: -26.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -281.038219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.038219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.038219 (E_RNA)
where:
Base-Base interactions energy: -190.824
where: short stacking energy: -85.584
Base-Backbone interact. energy: -0.044
local terms energy: -90.169985
where:
bonds (distance) C4'-P energy: -19.101
bonds (distance) P-C4' energy: -20.701
flat angles C4'-P-C4' energy: -18.351
flat angles P-C4'-P energy: -8.262
tors. eta vs tors. theta energy: -23.754
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: 4
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -227.570901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.570901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.570901 (E_RNA)
where:
Base-Base interactions energy: -139.958
where: short stacking energy: -67.015
Base-Backbone interact. energy: 1.639
local terms energy: -89.251777
where:
bonds (distance) C4'-P energy: -12.163
bonds (distance) P-C4' energy: -24.134
flat angles C4'-P-C4' energy: -16.151
flat angles P-C4'-P energy: -16.956
tors. eta vs tors. theta energy: -19.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -281.745813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.745813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.745813 (E_RNA)
where:
Base-Base interactions energy: -203.236
where: short stacking energy: -78.829
Base-Backbone interact. energy: -0.527
local terms energy: -77.983364
where:
bonds (distance) C4'-P energy: -8.066
bonds (distance) P-C4' energy: -20.621
flat angles C4'-P-C4' energy: -18.099
flat angles P-C4'-P energy: -12.692
tors. eta vs tors. theta energy: -18.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -191.101925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.101925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.101925 (E_RNA)
where:
Base-Base interactions energy: -115.670
where: short stacking energy: -65.164
Base-Backbone interact. energy: -0.174
local terms energy: -75.257685
where:
bonds (distance) C4'-P energy: -19.607
bonds (distance) P-C4' energy: -16.437
flat angles C4'-P-C4' energy: -15.445
flat angles P-C4'-P energy: -14.141
tors. eta vs tors. theta energy: -9.627
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: 8, replica: 5
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -205.281462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.281462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.281462 (E_RNA)
where:
Base-Base interactions energy: -124.407
where: short stacking energy: -64.272
Base-Backbone interact. energy: -0.945
local terms energy: -79.929535
where:
bonds (distance) C4'-P energy: -10.429
bonds (distance) P-C4' energy: -20.945
flat angles C4'-P-C4' energy: -20.406
flat angles P-C4'-P energy: -11.549
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: 9, replica: 9
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -111.541105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.541105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.541105 (E_RNA)
where:
Base-Base interactions energy: -54.209
where: short stacking energy: -23.597
Base-Backbone interact. energy: -0.180
local terms energy: -57.152656
where:
bonds (distance) C4'-P energy: -13.011
bonds (distance) P-C4' energy: -23.070
flat angles C4'-P-C4' energy: -13.920
flat angles P-C4'-P energy: -11.296
tors. eta vs tors. theta energy: 4.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -118.231654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.231654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.231654 (E_RNA)
where:
Base-Base interactions energy: -53.313
where: short stacking energy: -45.966
Base-Backbone interact. energy: -0.209
local terms energy: -64.710475
where:
bonds (distance) C4'-P energy: -12.887
bonds (distance) P-C4' energy: -18.653
flat angles C4'-P-C4' energy: -10.907
flat angles P-C4'-P energy: -16.184
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: 1, replica: 3
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -337.554824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.554824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.554824 (E_RNA)
where:
Base-Base interactions energy: -230.025
where: short stacking energy: -104.165
Base-Backbone interact. energy: -0.674
local terms energy: -106.855770
where:
bonds (distance) C4'-P energy: -20.548
bonds (distance) P-C4' energy: -23.705
flat angles C4'-P-C4' energy: -23.046
flat angles P-C4'-P energy: -12.180
tors. eta vs tors. theta energy: -27.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -333.973099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.973099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.973099 (E_RNA)
where:
Base-Base interactions energy: -231.878
where: short stacking energy: -87.599
Base-Backbone interact. energy: -0.491
local terms energy: -101.603992
where:
bonds (distance) C4'-P energy: -18.729
bonds (distance) P-C4' energy: -21.623
flat angles C4'-P-C4' energy: -21.430
flat angles P-C4'-P energy: -16.313
tors. eta vs tors. theta energy: -23.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -320.914640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.914640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.914640 (E_RNA)
where:
Base-Base interactions energy: -221.391
where: short stacking energy: -99.159
Base-Backbone interact. energy: -0.149
local terms energy: -99.374069
where:
bonds (distance) C4'-P energy: -16.179
bonds (distance) P-C4' energy: -20.669
flat angles C4'-P-C4' energy: -20.824
flat angles P-C4'-P energy: -15.499
tors. eta vs tors. theta energy: -26.203
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: 4, replica: 6
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -291.566987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.566987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.566987 (E_RNA)
where:
Base-Base interactions energy: -200.469
where: short stacking energy: -87.793
Base-Backbone interact. energy: -1.796
local terms energy: -89.302053
where:
bonds (distance) C4'-P energy: -14.905
bonds (distance) P-C4' energy: -19.508
flat angles C4'-P-C4' energy: -20.195
flat angles P-C4'-P energy: -13.059
tors. eta vs tors. theta energy: -21.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -238.287838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.287838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.287838 (E_RNA)
where:
Base-Base interactions energy: -158.722
where: short stacking energy: -71.459
Base-Backbone interact. energy: -0.058
local terms energy: -79.507221
where:
bonds (distance) C4'-P energy: -20.997
bonds (distance) P-C4' energy: -16.837
flat angles C4'-P-C4' energy: -21.280
flat angles P-C4'-P energy: -5.703
tors. eta vs tors. theta energy: -14.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -264.797265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.797265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.797265 (E_RNA)
where:
Base-Base interactions energy: -177.252
where: short stacking energy: -68.894
Base-Backbone interact. energy: -0.692
local terms energy: -86.853330
where:
bonds (distance) C4'-P energy: -17.773
bonds (distance) P-C4' energy: -20.278
flat angles C4'-P-C4' energy: -20.757
flat angles P-C4'-P energy: -14.070
tors. eta vs tors. theta energy: -13.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -198.231161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.231161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.231161 (E_RNA)
where:
Base-Base interactions energy: -114.960
where: short stacking energy: -55.230
Base-Backbone interact. energy: 0.052
local terms energy: -83.322726
where:
bonds (distance) C4'-P energy: -18.055
bonds (distance) P-C4' energy: -23.107
flat angles C4'-P-C4' energy: -18.481
flat angles P-C4'-P energy: -4.433
tors. eta vs tors. theta energy: -19.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -120.353311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.353311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.353311 (E_RNA)
where:
Base-Base interactions energy: -52.302
where: short stacking energy: -32.105
Base-Backbone interact. energy: -0.150
local terms energy: -67.900749
where:
bonds (distance) C4'-P energy: -18.293
bonds (distance) P-C4' energy: -15.078
flat angles C4'-P-C4' energy: -14.124
flat angles P-C4'-P energy: -16.636
tors. eta vs tors. theta energy: -3.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -164.736100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.736100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.736100 (E_RNA)
where:
Base-Base interactions energy: -98.288
where: short stacking energy: -59.098
Base-Backbone interact. energy: -0.484
local terms energy: -65.963985
where:
bonds (distance) C4'-P energy: -17.328
bonds (distance) P-C4' energy: -16.337
flat angles C4'-P-C4' energy: -20.152
flat angles P-C4'-P energy: -12.028
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: 10, replica: 1
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -103.917840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.917840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.917840 (E_RNA)
where:
Base-Base interactions energy: -39.614
where: short stacking energy: -27.675
Base-Backbone interact. energy: -1.025
local terms energy: -63.279100
where:
bonds (distance) C4'-P energy: -14.643
bonds (distance) P-C4' energy: -18.604
flat angles C4'-P-C4' energy: -15.564
flat angles P-C4'-P energy: -14.267
tors. eta vs tors. theta energy: -0.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -332.295004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.295004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.295004 (E_RNA)
where:
Base-Base interactions energy: -221.909
where: short stacking energy: -93.912
Base-Backbone interact. energy: -0.100
local terms energy: -110.286196
where:
bonds (distance) C4'-P energy: -21.019
bonds (distance) P-C4' energy: -19.545
flat angles C4'-P-C4' energy: -23.202
flat angles P-C4'-P energy: -16.762
tors. eta vs tors. theta energy: -29.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -326.189868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.189868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.189868 (E_RNA)
where:
Base-Base interactions energy: -221.237
where: short stacking energy: -101.742
Base-Backbone interact. energy: -0.238
local terms energy: -104.715093
where:
bonds (distance) C4'-P energy: -18.277
bonds (distance) P-C4' energy: -24.349
flat angles C4'-P-C4' energy: -21.091
flat angles P-C4'-P energy: -12.740
tors. eta vs tors. theta energy: -28.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -323.093419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.093419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.093419 (E_RNA)
where:
Base-Base interactions energy: -218.257
where: short stacking energy: -101.348
Base-Backbone interact. energy: -0.613
local terms energy: -104.222780
where:
bonds (distance) C4'-P energy: -19.727
bonds (distance) P-C4' energy: -21.021
flat angles C4'-P-C4' energy: -22.355
flat angles P-C4'-P energy: -10.361
tors. eta vs tors. theta energy: -30.759
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: 6
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -295.058696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.058696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.058696 (E_RNA)
where:
Base-Base interactions energy: -194.592
where: short stacking energy: -84.026
Base-Backbone interact. energy: 0.211
local terms energy: -100.677687
where:
bonds (distance) C4'-P energy: -21.006
bonds (distance) P-C4' energy: -19.800
flat angles C4'-P-C4' energy: -21.679
flat angles P-C4'-P energy: -13.668
tors. eta vs tors. theta energy: -24.525
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: 388
Temperature: 1.100000
Total energy: -269.079666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.079666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.079666 (E_RNA)
where:
Base-Base interactions energy: -174.779
where: short stacking energy: -71.957
Base-Backbone interact. energy: -0.776
local terms energy: -93.524702
where:
bonds (distance) C4'-P energy: -19.359
bonds (distance) P-C4' energy: -22.823
flat angles C4'-P-C4' energy: -19.467
flat angles P-C4'-P energy: -16.008
tors. eta vs tors. theta energy: -15.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -216.016447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.016447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.016447 (E_RNA)
where:
Base-Base interactions energy: -138.656
where: short stacking energy: -66.983
Base-Backbone interact. energy: -0.116
local terms energy: -77.244937
where:
bonds (distance) C4'-P energy: -18.836
bonds (distance) P-C4' energy: -20.518
flat angles C4'-P-C4' energy: -17.768
flat angles P-C4'-P energy: -3.151
tors. eta vs tors. theta energy: -16.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -179.355349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.355349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.355349 (E_RNA)
where:
Base-Base interactions energy: -95.936
where: short stacking energy: -52.453
Base-Backbone interact. energy: -0.103
local terms energy: -83.316822
where:
bonds (distance) C4'-P energy: -20.372
bonds (distance) P-C4' energy: -21.446
flat angles C4'-P-C4' energy: -17.409
flat angles P-C4'-P energy: -17.509
tors. eta vs tors. theta energy: -6.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -107.748040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.748040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.748040 (E_RNA)
where:
Base-Base interactions energy: -44.935
where: short stacking energy: -32.763
Base-Backbone interact. energy: -0.543
local terms energy: -62.270365
where:
bonds (distance) C4'-P energy: -19.469
bonds (distance) P-C4' energy: -19.791
flat angles C4'-P-C4' energy: -16.969
flat angles P-C4'-P energy: -6.778
tors. eta vs tors. theta energy: 0.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -162.628796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.628796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.628796 (E_RNA)
where:
Base-Base interactions energy: -90.287
where: short stacking energy: -45.529
Base-Backbone interact. energy: 1.171
local terms energy: -73.512952
where:
bonds (distance) C4'-P energy: -17.294
bonds (distance) P-C4' energy: -21.244
flat angles C4'-P-C4' energy: -17.358
flat angles P-C4'-P energy: -8.716
tors. eta vs tors. theta energy: -8.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -106.991366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.991366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.991366 (E_RNA)
where:
Base-Base interactions energy: -38.545
where: short stacking energy: -35.199
Base-Backbone interact. energy: -0.172
local terms energy: -68.274338
where:
bonds (distance) C4'-P energy: -18.443
bonds (distance) P-C4' energy: -20.644
flat angles C4'-P-C4' energy: -23.553
flat angles P-C4'-P energy: -0.548
tors. eta vs tors. theta energy: -5.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -329.455397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.455397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.455397 (E_RNA)
where:
Base-Base interactions energy: -229.488
where: short stacking energy: -98.254
Base-Backbone interact. energy: -0.247
local terms energy: -99.720531
where:
bonds (distance) C4'-P energy: -17.641
bonds (distance) P-C4' energy: -18.828
flat angles C4'-P-C4' energy: -22.430
flat angles P-C4'-P energy: -11.708
tors. eta vs tors. theta energy: -29.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -322.391310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.391310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.391310 (E_RNA)
where:
Base-Base interactions energy: -216.178
where: short stacking energy: -86.408
Base-Backbone interact. energy: -0.434
local terms energy: -105.779206
where:
bonds (distance) C4'-P energy: -20.913
bonds (distance) P-C4' energy: -18.880
flat angles C4'-P-C4' energy: -25.085
flat angles P-C4'-P energy: -15.054
tors. eta vs tors. theta energy: -25.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -315.650518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.650518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.650518 (E_RNA)
where:
Base-Base interactions energy: -212.991
where: short stacking energy: -74.766
Base-Backbone interact. energy: -0.509
local terms energy: -102.149874
where:
bonds (distance) C4'-P energy: -18.690
bonds (distance) P-C4' energy: -22.087
flat angles C4'-P-C4' energy: -20.881
flat angles P-C4'-P energy: -16.574
tors. eta vs tors. theta energy: -23.917
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: 6
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -304.084456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.084456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.084456 (E_RNA)
where:
Base-Base interactions energy: -208.418
where: short stacking energy: -88.784
Base-Backbone interact. energy: 0.893
local terms energy: -96.559425
where:
bonds (distance) C4'-P energy: -19.528
bonds (distance) P-C4' energy: -21.634
flat angles C4'-P-C4' energy: -18.635
flat angles P-C4'-P energy: -12.528
tors. eta vs tors. theta energy: -24.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -278.969428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.969428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.969428 (E_RNA)
where:
Base-Base interactions energy: -177.057
where: short stacking energy: -69.189
Base-Backbone interact. energy: -1.930
local terms energy: -99.982921
where:
bonds (distance) C4'-P energy: -22.438
bonds (distance) P-C4' energy: -18.917
flat angles C4'-P-C4' energy: -22.009
flat angles P-C4'-P energy: -16.517
tors. eta vs tors. theta energy: -20.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -177.374860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.374860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.374860 (E_RNA)
where:
Base-Base interactions energy: -97.161
where: short stacking energy: -42.708
Base-Backbone interact. energy: -1.136
local terms energy: -79.076943
where:
bonds (distance) C4'-P energy: -17.865
bonds (distance) P-C4' energy: -21.515
flat angles C4'-P-C4' energy: -22.314
flat angles P-C4'-P energy: -11.969
tors. eta vs tors. theta energy: -5.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -195.063900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.063900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.063900 (E_RNA)
where:
Base-Base interactions energy: -115.286
where: short stacking energy: -61.101
Base-Backbone interact. energy: -0.175
local terms energy: -79.602073
where:
bonds (distance) C4'-P energy: -19.060
bonds (distance) P-C4' energy: -18.020
flat angles C4'-P-C4' energy: -15.840
flat angles P-C4'-P energy: -9.648
tors. eta vs tors. theta energy: -17.034
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: 5
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -194.230862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.230862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.230862 (E_RNA)
where:
Base-Base interactions energy: -128.404
where: short stacking energy: -60.717
Base-Backbone interact. energy: -0.577
local terms energy: -65.249214
where:
bonds (distance) C4'-P energy: -16.347
bonds (distance) P-C4' energy: -19.849
flat angles C4'-P-C4' energy: -15.288
flat angles P-C4'-P energy: -5.898
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: 9, replica: 9
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -121.476815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.476815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.476815 (E_RNA)
where:
Base-Base interactions energy: -47.983
where: short stacking energy: -29.936
Base-Backbone interact. energy: -0.012
local terms energy: -73.481968
where:
bonds (distance) C4'-P energy: -16.846
bonds (distance) P-C4' energy: -21.465
flat angles C4'-P-C4' energy: -17.176
flat angles P-C4'-P energy: -14.250
tors. eta vs tors. theta energy: -3.746
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: 1
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -95.069773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.069773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.069773 (E_RNA)
where:
Base-Base interactions energy: -29.759
where: short stacking energy: -25.707
Base-Backbone interact. energy: -1.046
local terms energy: -64.265423
where:
bonds (distance) C4'-P energy: -21.621
bonds (distance) P-C4' energy: -19.180
flat angles C4'-P-C4' energy: -16.349
flat angles P-C4'-P energy: -11.457
tors. eta vs tors. theta energy: 4.342
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: 390
Temperature: 0.900000
Total energy: -332.274993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.274993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.274993 (E_RNA)
where:
Base-Base interactions energy: -226.921
where: short stacking energy: -97.276
Base-Backbone interact. energy: -0.849
local terms energy: -104.504408
where:
bonds (distance) C4'-P energy: -18.540
bonds (distance) P-C4' energy: -15.899
flat angles C4'-P-C4' energy: -24.773
flat angles P-C4'-P energy: -14.556
tors. eta vs tors. theta energy: -30.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -322.614080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.614080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.614080 (E_RNA)
where:
Base-Base interactions energy: -218.819
where: short stacking energy: -99.278
Base-Backbone interact. energy: -0.253
local terms energy: -103.541902
where:
bonds (distance) C4'-P energy: -20.060
bonds (distance) P-C4' energy: -19.262
flat angles C4'-P-C4' energy: -22.501
flat angles P-C4'-P energy: -11.104
tors. eta vs tors. theta energy: -30.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -315.589815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.589815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.589815 (E_RNA)
where:
Base-Base interactions energy: -217.457
where: short stacking energy: -90.483
Base-Backbone interact. energy: -0.289
local terms energy: -97.843529
where:
bonds (distance) C4'-P energy: -14.358
bonds (distance) P-C4' energy: -19.271
flat angles C4'-P-C4' energy: -18.686
flat angles P-C4'-P energy: -17.512
tors. eta vs tors. theta energy: -28.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -300.282305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.282305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.282305 (E_RNA)
where:
Base-Base interactions energy: -206.328
where: short stacking energy: -87.121
Base-Backbone interact. energy: -0.455
local terms energy: -93.499480
where:
bonds (distance) C4'-P energy: -18.745
bonds (distance) P-C4' energy: -18.182
flat angles C4'-P-C4' energy: -20.618
flat angles P-C4'-P energy: -9.539
tors. eta vs tors. theta energy: -26.415
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: 5, replica: 10
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -276.628823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.628823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.628823 (E_RNA)
where:
Base-Base interactions energy: -186.263
where: short stacking energy: -78.507
Base-Backbone interact. energy: 0.368
local terms energy: -90.734383
where:
bonds (distance) C4'-P energy: -20.990
bonds (distance) P-C4' energy: -17.927
flat angles C4'-P-C4' energy: -16.306
flat angles P-C4'-P energy: -12.569
tors. eta vs tors. theta energy: -22.942
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: 8
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -210.166016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.166016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.166016 (E_RNA)
where:
Base-Base interactions energy: -134.697
where: short stacking energy: -51.934
Base-Backbone interact. energy: -0.651
local terms energy: -74.817998
where:
bonds (distance) C4'-P energy: -18.571
bonds (distance) P-C4' energy: -16.759
flat angles C4'-P-C4' energy: -16.730
flat angles P-C4'-P energy: -10.397
tors. eta vs tors. theta energy: -12.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -192.783352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.783352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.783352 (E_RNA)
where:
Base-Base interactions energy: -115.062
where: short stacking energy: -54.570
Base-Backbone interact. energy: -0.322
local terms energy: -77.399419
where:
bonds (distance) C4'-P energy: -17.491
bonds (distance) P-C4' energy: -21.309
flat angles C4'-P-C4' energy: -19.019
flat angles P-C4'-P energy: -9.552
tors. eta vs tors. theta energy: -10.028
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: 8, replica: 4
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -182.517652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.517652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.517652 (E_RNA)
where:
Base-Base interactions energy: -115.480
where: short stacking energy: -58.137
Base-Backbone interact. energy: -0.030
local terms energy: -67.007674
where:
bonds (distance) C4'-P energy: -13.032
bonds (distance) P-C4' energy: -22.556
flat angles C4'-P-C4' energy: -12.352
flat angles P-C4'-P energy: -6.926
tors. eta vs tors. theta energy: -12.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -106.704378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.704378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.704378 (E_RNA)
where:
Base-Base interactions energy: -44.351
where: short stacking energy: -44.351
Base-Backbone interact. energy: -0.035
local terms energy: -62.318743
where:
bonds (distance) C4'-P energy: -14.743
bonds (distance) P-C4' energy: -19.951
flat angles C4'-P-C4' energy: -14.407
flat angles P-C4'-P energy: -8.215
tors. eta vs tors. theta energy: -5.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -109.291084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.291084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.291084 (E_RNA)
where:
Base-Base interactions energy: -46.529
where: short stacking energy: -35.893
Base-Backbone interact. energy: -0.366
local terms energy: -62.396586
where:
bonds (distance) C4'-P energy: -18.721
bonds (distance) P-C4' energy: -16.252
flat angles C4'-P-C4' energy: -18.802
flat angles P-C4'-P energy: -8.714
tors. eta vs tors. theta energy: 0.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -325.502685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.502685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.502685 (E_RNA)
where:
Base-Base interactions energy: -221.548
where: short stacking energy: -94.574
Base-Backbone interact. energy: -0.072
local terms energy: -103.883246
where:
bonds (distance) C4'-P energy: -21.756
bonds (distance) P-C4' energy: -19.533
flat angles C4'-P-C4' energy: -24.032
flat angles P-C4'-P energy: -13.522
tors. eta vs tors. theta energy: -25.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -325.318295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.318295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.318295 (E_RNA)
where:
Base-Base interactions energy: -220.088
where: short stacking energy: -101.303
Base-Backbone interact. energy: -0.095
local terms energy: -105.135247
where:
bonds (distance) C4'-P energy: -22.053
bonds (distance) P-C4' energy: -20.848
flat angles C4'-P-C4' energy: -21.119
flat angles P-C4'-P energy: -12.251
tors. eta vs tors. theta energy: -28.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -328.355419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.355419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.355419 (E_RNA)
where:
Base-Base interactions energy: -224.737
where: short stacking energy: -98.974
Base-Backbone interact. energy: -0.200
local terms energy: -103.418420
where:
bonds (distance) C4'-P energy: -21.598
bonds (distance) P-C4' energy: -21.725
flat angles C4'-P-C4' energy: -21.442
flat angles P-C4'-P energy: -11.740
tors. eta vs tors. theta energy: -26.915
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: 4, replica: 10
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -281.771556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.771556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.771556 (E_RNA)
where:
Base-Base interactions energy: -190.765
where: short stacking energy: -77.906
Base-Backbone interact. energy: -0.198
local terms energy: -90.808343
where:
bonds (distance) C4'-P energy: -19.105
bonds (distance) P-C4' energy: -17.666
flat angles C4'-P-C4' energy: -18.739
flat angles P-C4'-P energy: -14.643
tors. eta vs tors. theta energy: -20.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -304.015653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.015653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.015653 (E_RNA)
where:
Base-Base interactions energy: -206.902
where: short stacking energy: -85.717
Base-Backbone interact. energy: -1.030
local terms energy: -96.083556
where:
bonds (distance) C4'-P energy: -19.197
bonds (distance) P-C4' energy: -15.463
flat angles C4'-P-C4' energy: -24.025
flat angles P-C4'-P energy: -10.233
tors. eta vs tors. theta energy: -27.165
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: 5
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -182.543891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.543891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.543891 (E_RNA)
where:
Base-Base interactions energy: -107.529
where: short stacking energy: -52.102
Base-Backbone interact. energy: -1.250
local terms energy: -73.764919
where:
bonds (distance) C4'-P energy: -17.479
bonds (distance) P-C4' energy: -21.273
flat angles C4'-P-C4' energy: -14.853
flat angles P-C4'-P energy: -13.681
tors. eta vs tors. theta energy: -6.480
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: 8
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -204.235133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.235133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.235133 (E_RNA)
where:
Base-Base interactions energy: -125.295
where: short stacking energy: -58.063
Base-Backbone interact. energy: -0.126
local terms energy: -78.813919
where:
bonds (distance) C4'-P energy: -10.648
bonds (distance) P-C4' energy: -19.576
flat angles C4'-P-C4' energy: -19.155
flat angles P-C4'-P energy: -13.298
tors. eta vs tors. theta energy: -16.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -167.666767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.666767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.666767 (E_RNA)
where:
Base-Base interactions energy: -97.664
where: short stacking energy: -48.748
Base-Backbone interact. energy: 0.589
local terms energy: -70.591842
where:
bonds (distance) C4'-P energy: -20.813
bonds (distance) P-C4' energy: -11.954
flat angles C4'-P-C4' energy: -14.778
flat angles P-C4'-P energy: -14.495
tors. eta vs tors. theta energy: -8.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -101.984899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.984899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.984899 (E_RNA)
where:
Base-Base interactions energy: -32.296
where: short stacking energy: -19.268
Base-Backbone interact. energy: 0.409
local terms energy: -70.098388
where:
bonds (distance) C4'-P energy: -15.603
bonds (distance) P-C4' energy: -21.418
flat angles C4'-P-C4' energy: -17.733
flat angles P-C4'-P energy: -16.291
tors. eta vs tors. theta energy: 0.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -102.839514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.839514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.839514 (E_RNA)
where:
Base-Base interactions energy: -36.849
where: short stacking energy: -27.660
Base-Backbone interact. energy: 0.280
local terms energy: -66.270167
where:
bonds (distance) C4'-P energy: -14.342
bonds (distance) P-C4' energy: -20.979
flat angles C4'-P-C4' energy: -21.714
flat angles P-C4'-P energy: -9.044
tors. eta vs tors. theta energy: -0.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -325.089155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.089155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.089155 (E_RNA)
where:
Base-Base interactions energy: -223.234
where: short stacking energy: -95.152
Base-Backbone interact. energy: -0.458
local terms energy: -101.397797
where:
bonds (distance) C4'-P energy: -20.658
bonds (distance) P-C4' energy: -17.313
flat angles C4'-P-C4' energy: -23.301
flat angles P-C4'-P energy: -15.941
tors. eta vs tors. theta energy: -24.184
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: 2
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -328.846532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.846532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.846532 (E_RNA)
where:
Base-Base interactions energy: -222.404
where: short stacking energy: -92.721
Base-Backbone interact. energy: -0.076
local terms energy: -106.367404
where:
bonds (distance) C4'-P energy: -20.726
bonds (distance) P-C4' energy: -20.188
flat angles C4'-P-C4' energy: -21.676
flat angles P-C4'-P energy: -14.160
tors. eta vs tors. theta energy: -29.618
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: 3
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -317.546367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.546367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.546367 (E_RNA)
where:
Base-Base interactions energy: -216.060
where: short stacking energy: -96.916
Base-Backbone interact. energy: -0.874
local terms energy: -100.612217
where:
bonds (distance) C4'-P energy: -18.103
bonds (distance) P-C4' energy: -20.447
flat angles C4'-P-C4' energy: -18.834
flat angles P-C4'-P energy: -16.212
tors. eta vs tors. theta energy: -27.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -291.914934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.914934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.914934 (E_RNA)
where:
Base-Base interactions energy: -205.044
where: short stacking energy: -75.721
Base-Backbone interact. energy: -0.082
local terms energy: -86.788119
where:
bonds (distance) C4'-P energy: -22.098
bonds (distance) P-C4' energy: -16.070
flat angles C4'-P-C4' energy: -22.170
flat angles P-C4'-P energy: -9.114
tors. eta vs tors. theta energy: -17.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -312.981635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.981635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.981635 (E_RNA)
where:
Base-Base interactions energy: -214.214
where: short stacking energy: -91.526
Base-Backbone interact. energy: -0.101
local terms energy: -98.666710
where:
bonds (distance) C4'-P energy: -21.189
bonds (distance) P-C4' energy: -19.638
flat angles C4'-P-C4' energy: -20.984
flat angles P-C4'-P energy: -13.617
tors. eta vs tors. theta energy: -23.238
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: 5
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -194.851601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.851601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.851601 (E_RNA)
where:
Base-Base interactions energy: -109.116
where: short stacking energy: -65.178
Base-Backbone interact. energy: -0.108
local terms energy: -85.627463
where:
bonds (distance) C4'-P energy: -23.531
bonds (distance) P-C4' energy: -19.056
flat angles C4'-P-C4' energy: -14.299
flat angles P-C4'-P energy: -14.527
tors. eta vs tors. theta energy: -14.214
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: 4
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -194.925589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.925589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.925589 (E_RNA)
where:
Base-Base interactions energy: -125.810
where: short stacking energy: -60.880
Base-Backbone interact. energy: -0.280
local terms energy: -68.835537
where:
bonds (distance) C4'-P energy: -11.384
bonds (distance) P-C4' energy: -13.234
flat angles C4'-P-C4' energy: -16.849
flat angles P-C4'-P energy: -10.874
tors. eta vs tors. theta energy: -16.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -261.081203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.081203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.081203 (E_RNA)
where:
Base-Base interactions energy: -178.899
where: short stacking energy: -72.843
Base-Backbone interact. energy: -0.110
local terms energy: -82.072798
where:
bonds (distance) C4'-P energy: -18.490
bonds (distance) P-C4' energy: -20.487
flat angles C4'-P-C4' energy: -16.702
flat angles P-C4'-P energy: -9.854
tors. eta vs tors. theta energy: -16.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -117.107287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.107287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.107287 (E_RNA)
where:
Base-Base interactions energy: -52.496
where: short stacking energy: -37.766
Base-Backbone interact. energy: -0.038
local terms energy: -64.573311
where:
bonds (distance) C4'-P energy: -18.307
bonds (distance) P-C4' energy: -19.842
flat angles C4'-P-C4' energy: -13.991
flat angles P-C4'-P energy: -6.981
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: 10, replica: 9
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -102.910716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.910716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.910716 (E_RNA)
where:
Base-Base interactions energy: -38.535
where: short stacking energy: -34.548
Base-Backbone interact. energy: -0.478
local terms energy: -63.897800
where:
bonds (distance) C4'-P energy: -19.275
bonds (distance) P-C4' energy: -18.995
flat angles C4'-P-C4' energy: -15.921
flat angles P-C4'-P energy: -9.802
tors. eta vs tors. theta energy: 0.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -314.064402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.064402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.064402 (E_RNA)
where:
Base-Base interactions energy: -224.944
where: short stacking energy: -85.113
Base-Backbone interact. energy: -0.896
local terms energy: -88.223932
where:
bonds (distance) C4'-P energy: -22.348
bonds (distance) P-C4' energy: -17.417
flat angles C4'-P-C4' energy: -18.082
flat angles P-C4'-P energy: -12.291
tors. eta vs tors. theta energy: -18.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -324.506146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.506146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.506146 (E_RNA)
where:
Base-Base interactions energy: -215.764
where: short stacking energy: -92.306
Base-Backbone interact. energy: -0.211
local terms energy: -108.530982
where:
bonds (distance) C4'-P energy: -20.113
bonds (distance) P-C4' energy: -21.914
flat angles C4'-P-C4' energy: -22.713
flat angles P-C4'-P energy: -12.191
tors. eta vs tors. theta energy: -31.600
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: 3
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -318.953585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.953585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.953585 (E_RNA)
where:
Base-Base interactions energy: -215.058
where: short stacking energy: -88.705
Base-Backbone interact. energy: -0.474
local terms energy: -103.421160
where:
bonds (distance) C4'-P energy: -21.515
bonds (distance) P-C4' energy: -16.932
flat angles C4'-P-C4' energy: -21.388
flat angles P-C4'-P energy: -18.916
tors. eta vs tors. theta energy: -24.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -314.985825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.985825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.985825 (E_RNA)
where:
Base-Base interactions energy: -221.949
where: short stacking energy: -90.591
Base-Backbone interact. energy: 0.058
local terms energy: -93.094764
where:
bonds (distance) C4'-P energy: -20.018
bonds (distance) P-C4' energy: -15.760
flat angles C4'-P-C4' energy: -21.868
flat angles P-C4'-P energy: -13.260
tors. eta vs tors. theta energy: -22.189
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: 5, replica: 10
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -262.624232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.624232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.624232 (E_RNA)
where:
Base-Base interactions energy: -183.729
where: short stacking energy: -77.107
Base-Backbone interact. energy: -0.119
local terms energy: -78.775736
where:
bonds (distance) C4'-P energy: -14.867
bonds (distance) P-C4' energy: -20.043
flat angles C4'-P-C4' energy: -18.647
flat angles P-C4'-P energy: -7.507
tors. eta vs tors. theta energy: -17.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -220.519483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.519483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.519483 (E_RNA)
where:
Base-Base interactions energy: -139.272
where: short stacking energy: -63.258
Base-Backbone interact. energy: -0.118
local terms energy: -81.130059
where:
bonds (distance) C4'-P energy: -17.832
bonds (distance) P-C4' energy: -18.526
flat angles C4'-P-C4' energy: -17.794
flat angles P-C4'-P energy: -13.330
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: 7, replica: 5
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -194.355518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.355518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.355518 (E_RNA)
where:
Base-Base interactions energy: -114.067
where: short stacking energy: -63.095
Base-Backbone interact. energy: -0.625
local terms energy: -79.662663
where:
bonds (distance) C4'-P energy: -5.783
bonds (distance) P-C4' energy: -20.418
flat angles C4'-P-C4' energy: -18.841
flat angles P-C4'-P energy: -16.626
tors. eta vs tors. theta energy: -17.994
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: 8
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -209.529837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.529837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.529837 (E_RNA)
where:
Base-Base interactions energy: -139.292
where: short stacking energy: -53.120
Base-Backbone interact. energy: -0.011
local terms energy: -70.226899
where:
bonds (distance) C4'-P energy: -16.812
bonds (distance) P-C4' energy: -13.544
flat angles C4'-P-C4' energy: -14.454
flat angles P-C4'-P energy: -12.730
tors. eta vs tors. theta energy: -12.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -117.046195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.046195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.046195 (E_RNA)
where:
Base-Base interactions energy: -42.846
where: short stacking energy: -42.538
Base-Backbone interact. energy: -0.068
local terms energy: -74.132067
where:
bonds (distance) C4'-P energy: -19.276
bonds (distance) P-C4' energy: -15.535
flat angles C4'-P-C4' energy: -16.106
flat angles P-C4'-P energy: -12.474
tors. eta vs tors. theta energy: -10.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -97.126492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.126492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.126492 (E_RNA)
where:
Base-Base interactions energy: -45.313
where: short stacking energy: -33.901
Base-Backbone interact. energy: 0.485
local terms energy: -52.297982
where:
bonds (distance) C4'-P energy: -19.172
bonds (distance) P-C4' energy: -13.091
flat angles C4'-P-C4' energy: -17.111
flat angles P-C4'-P energy: -6.217
tors. eta vs tors. theta energy: 3.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -323.781245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.781245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.781245 (E_RNA)
where:
Base-Base interactions energy: -217.254
where: short stacking energy: -104.967
Base-Backbone interact. energy: 0.665
local terms energy: -107.192794
where:
bonds (distance) C4'-P energy: -19.894
bonds (distance) P-C4' energy: -20.967
flat angles C4'-P-C4' energy: -19.950
flat angles P-C4'-P energy: -15.511
tors. eta vs tors. theta energy: -30.871
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: 2, replica: 7
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -317.292426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.292426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.292426 (E_RNA)
where:
Base-Base interactions energy: -226.322
where: short stacking energy: -91.273
Base-Backbone interact. energy: 1.486
local terms energy: -92.457124
where:
bonds (distance) C4'-P energy: -19.955
bonds (distance) P-C4' energy: -18.202
flat angles C4'-P-C4' energy: -18.826
flat angles P-C4'-P energy: -13.040
tors. eta vs tors. theta energy: -22.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -323.192513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.192513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.192513 (E_RNA)
where:
Base-Base interactions energy: -228.238
where: short stacking energy: -96.863
Base-Backbone interact. energy: 2.440
local terms energy: -97.394421
where:
bonds (distance) C4'-P energy: -17.296
bonds (distance) P-C4' energy: -17.902
flat angles C4'-P-C4' energy: -20.947
flat angles P-C4'-P energy: -14.403
tors. eta vs tors. theta energy: -26.847
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: 3
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -308.384658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.384658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.384658 (E_RNA)
where:
Base-Base interactions energy: -204.312
where: short stacking energy: -84.622
Base-Backbone interact. energy: -1.029
local terms energy: -103.043999
where:
bonds (distance) C4'-P energy: -21.942
bonds (distance) P-C4' energy: -16.842
flat angles C4'-P-C4' energy: -20.600
flat angles P-C4'-P energy: -16.892
tors. eta vs tors. theta energy: -26.768
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: 394
Temperature: 1.100000
Total energy: -260.534886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.534886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.534886 (E_RNA)
where:
Base-Base interactions energy: -174.948
where: short stacking energy: -69.005
Base-Backbone interact. energy: -0.762
local terms energy: -84.825544
where:
bonds (distance) C4'-P energy: -19.334
bonds (distance) P-C4' energy: -17.684
flat angles C4'-P-C4' energy: -17.986
flat angles P-C4'-P energy: -10.817
tors. eta vs tors. theta energy: -19.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -209.252788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.252788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.252788 (E_RNA)
where:
Base-Base interactions energy: -132.725
where: short stacking energy: -61.719
Base-Backbone interact. energy: -0.589
local terms energy: -75.939065
where:
bonds (distance) C4'-P energy: -18.858
bonds (distance) P-C4' energy: -15.732
flat angles C4'-P-C4' energy: -21.597
flat angles P-C4'-P energy: -8.707
tors. eta vs tors. theta energy: -11.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -222.365369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.365369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.365369 (E_RNA)
where:
Base-Base interactions energy: -143.833
where: short stacking energy: -63.587
Base-Backbone interact. energy: -0.036
local terms energy: -78.496611
where:
bonds (distance) C4'-P energy: -17.334
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -14.065
flat angles P-C4'-P energy: -9.699
tors. eta vs tors. theta energy: -22.134
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: 5
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -185.328140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.328140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.328140 (E_RNA)
where:
Base-Base interactions energy: -100.517
where: short stacking energy: -53.278
Base-Backbone interact. energy: -1.283
local terms energy: -83.528958
where:
bonds (distance) C4'-P energy: -16.344
bonds (distance) P-C4' energy: -20.969
flat angles C4'-P-C4' energy: -18.936
flat angles P-C4'-P energy: -7.729
tors. eta vs tors. theta energy: -19.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -124.238669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.238669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.238669 (E_RNA)
where:
Base-Base interactions energy: -54.352
where: short stacking energy: -36.813
Base-Backbone interact. energy: -0.326
local terms energy: -69.560174
where:
bonds (distance) C4'-P energy: -16.887
bonds (distance) P-C4' energy: -17.688
flat angles C4'-P-C4' energy: -16.477
flat angles P-C4'-P energy: -14.073
tors. eta vs tors. theta energy: -4.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -114.695327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.695327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.695327 (E_RNA)
where:
Base-Base interactions energy: -46.159
where: short stacking energy: -38.518
Base-Backbone interact. energy: -0.760
local terms energy: -67.776159
where:
bonds (distance) C4'-P energy: -15.774
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -22.441
flat angles P-C4'-P energy: -13.095
tors. eta vs tors. theta energy: -1.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -336.385599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.385599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.385599 (E_RNA)
where:
Base-Base interactions energy: -222.444
where: short stacking energy: -100.851
Base-Backbone interact. energy: -0.857
local terms energy: -113.083715
where:
bonds (distance) C4'-P energy: -20.904
bonds (distance) P-C4' energy: -22.324
flat angles C4'-P-C4' energy: -21.637
flat angles P-C4'-P energy: -16.370
tors. eta vs tors. theta energy: -31.848
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: 6
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -324.814370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.814370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.814370 (E_RNA)
where:
Base-Base interactions energy: -233.480
where: short stacking energy: -100.751
Base-Backbone interact. energy: 0.239
local terms energy: -91.572736
where:
bonds (distance) C4'-P energy: -18.218
bonds (distance) P-C4' energy: -17.736
flat angles C4'-P-C4' energy: -20.008
flat angles P-C4'-P energy: -11.773
tors. eta vs tors. theta energy: -23.839
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: 7
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -310.933818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.933818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.933818 (E_RNA)
where:
Base-Base interactions energy: -210.665
where: short stacking energy: -86.458
Base-Backbone interact. energy: -0.654
local terms energy: -99.614691
where:
bonds (distance) C4'-P energy: -20.799
bonds (distance) P-C4' energy: -21.385
flat angles C4'-P-C4' energy: -21.887
flat angles P-C4'-P energy: -11.947
tors. eta vs tors. theta energy: -23.597
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: 3
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -303.012830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.012830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.012830 (E_RNA)
where:
Base-Base interactions energy: -204.280
where: short stacking energy: -78.684
Base-Backbone interact. energy: -0.403
local terms energy: -98.330678
where:
bonds (distance) C4'-P energy: -20.088
bonds (distance) P-C4' energy: -22.111
flat angles C4'-P-C4' energy: -22.254
flat angles P-C4'-P energy: -12.297
tors. eta vs tors. theta energy: -21.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -266.664864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.664864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.664864 (E_RNA)
where:
Base-Base interactions energy: -173.409
where: short stacking energy: -74.171
Base-Backbone interact. energy: -0.265
local terms energy: -92.990210
where:
bonds (distance) C4'-P energy: -11.152
bonds (distance) P-C4' energy: -18.469
flat angles C4'-P-C4' energy: -23.035
flat angles P-C4'-P energy: -18.609
tors. eta vs tors. theta energy: -21.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -251.473287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.473287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.473287 (E_RNA)
where:
Base-Base interactions energy: -175.551
where: short stacking energy: -66.556
Base-Backbone interact. energy: 0.498
local terms energy: -76.419565
where:
bonds (distance) C4'-P energy: -10.528
bonds (distance) P-C4' energy: -19.767
flat angles C4'-P-C4' energy: -19.992
flat angles P-C4'-P energy: -10.597
tors. eta vs tors. theta energy: -15.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -208.834178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.834178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.834178 (E_RNA)
where:
Base-Base interactions energy: -132.601
where: short stacking energy: -58.944
Base-Backbone interact. energy: -0.159
local terms energy: -76.073387
where:
bonds (distance) C4'-P energy: -16.841
bonds (distance) P-C4' energy: -19.519
flat angles C4'-P-C4' energy: -15.001
flat angles P-C4'-P energy: -10.156
tors. eta vs tors. theta energy: -14.557
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: 5
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -185.473887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.473887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.473887 (E_RNA)
where:
Base-Base interactions energy: -111.198
where: short stacking energy: -44.081
Base-Backbone interact. energy: -0.239
local terms energy: -74.037264
where:
bonds (distance) C4'-P energy: -18.924
bonds (distance) P-C4' energy: -19.178
flat angles C4'-P-C4' energy: -16.708
flat angles P-C4'-P energy: -11.155
tors. eta vs tors. theta energy: -8.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -100.339064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.339064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.339064 (E_RNA)
where:
Base-Base interactions energy: -45.198
where: short stacking energy: -41.669
Base-Backbone interact. energy: -0.325
local terms energy: -54.815969
where:
bonds (distance) C4'-P energy: -17.375
bonds (distance) P-C4' energy: -15.387
flat angles C4'-P-C4' energy: -9.221
flat angles P-C4'-P energy: -6.602
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: 10, replica: 1
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -100.628145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.628145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.628145 (E_RNA)
where:
Base-Base interactions energy: -36.465
where: short stacking energy: -34.829
Base-Backbone interact. energy: -0.326
local terms energy: -63.837443
where:
bonds (distance) C4'-P energy: -18.266
bonds (distance) P-C4' energy: -16.750
flat angles C4'-P-C4' energy: -16.414
flat angles P-C4'-P energy: -13.170
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: 1, replica: 6
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -325.625064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.625064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.625064 (E_RNA)
where:
Base-Base interactions energy: -229.383
where: short stacking energy: -92.695
Base-Backbone interact. energy: -0.163
local terms energy: -96.078885
where:
bonds (distance) C4'-P energy: -19.412
bonds (distance) P-C4' energy: -18.114
flat angles C4'-P-C4' energy: -22.157
flat angles P-C4'-P energy: -10.664
tors. eta vs tors. theta energy: -25.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -336.764110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.764110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.764110 (E_RNA)
where:
Base-Base interactions energy: -230.518
where: short stacking energy: -104.718
Base-Backbone interact. energy: -0.504
local terms energy: -105.742188
where:
bonds (distance) C4'-P energy: -21.527
bonds (distance) P-C4' energy: -14.205
flat angles C4'-P-C4' energy: -22.973
flat angles P-C4'-P energy: -16.004
tors. eta vs tors. theta energy: -31.033
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: 396
Temperature: 1.000000
Total energy: -305.252468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.252468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.252468 (E_RNA)
where:
Base-Base interactions energy: -213.229
where: short stacking energy: -86.540
Base-Backbone interact. energy: -0.949
local terms energy: -91.074314
where:
bonds (distance) C4'-P energy: -15.284
bonds (distance) P-C4' energy: -20.081
flat angles C4'-P-C4' energy: -17.385
flat angles P-C4'-P energy: -15.575
tors. eta vs tors. theta energy: -22.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -306.191521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.191521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.191521 (E_RNA)
where:
Base-Base interactions energy: -219.658
where: short stacking energy: -84.024
Base-Backbone interact. energy: -0.222
local terms energy: -86.311543
where:
bonds (distance) C4'-P energy: -18.171
bonds (distance) P-C4' energy: -17.394
flat angles C4'-P-C4' energy: -22.157
flat angles P-C4'-P energy: -9.712
tors. eta vs tors. theta energy: -18.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -266.057748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.057748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.057748 (E_RNA)
where:
Base-Base interactions energy: -175.218
where: short stacking energy: -71.233
Base-Backbone interact. energy: -0.107
local terms energy: -90.733105
where:
bonds (distance) C4'-P energy: -21.431
bonds (distance) P-C4' energy: -17.974
flat angles C4'-P-C4' energy: -20.576
flat angles P-C4'-P energy: -14.882
tors. eta vs tors. theta energy: -15.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -267.127172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.127172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.127172 (E_RNA)
where:
Base-Base interactions energy: -188.965
where: short stacking energy: -78.927
Base-Backbone interact. energy: -0.805
local terms energy: -77.357471
where:
bonds (distance) C4'-P energy: -7.387
bonds (distance) P-C4' energy: -21.942
flat angles C4'-P-C4' energy: -20.030
flat angles P-C4'-P energy: -8.408
tors. eta vs tors. theta energy: -19.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -166.021165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.021165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.021165 (E_RNA)
where:
Base-Base interactions energy: -94.753
where: short stacking energy: -47.125
Base-Backbone interact. energy: -0.137
local terms energy: -71.132004
where:
bonds (distance) C4'-P energy: -17.612
bonds (distance) P-C4' energy: -20.112
flat angles C4'-P-C4' energy: -13.824
flat angles P-C4'-P energy: -10.856
tors. eta vs tors. theta energy: -8.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -194.543726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.543726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.543726 (E_RNA)
where:
Base-Base interactions energy: -128.642
where: short stacking energy: -63.203
Base-Backbone interact. energy: -0.053
local terms energy: -65.848988
where:
bonds (distance) C4'-P energy: -15.574
bonds (distance) P-C4' energy: -15.234
flat angles C4'-P-C4' energy: -16.182
flat angles P-C4'-P energy: -7.965
tors. eta vs tors. theta energy: -10.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -109.502492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.502492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.502492 (E_RNA)
where:
Base-Base interactions energy: -44.510
where: short stacking energy: -44.510
Base-Backbone interact. energy: -0.104
local terms energy: -64.888428
where:
bonds (distance) C4'-P energy: -20.646
bonds (distance) P-C4' energy: -12.389
flat angles C4'-P-C4' energy: -21.788
flat angles P-C4'-P energy: -2.689
tors. eta vs tors. theta energy: -7.377
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: 1
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -116.337883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.337883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.337883 (E_RNA)
where:
Base-Base interactions energy: -69.755
where: short stacking energy: -33.035
Base-Backbone interact. energy: -0.230
local terms energy: -46.351981
where:
bonds (distance) C4'-P energy: -13.107
bonds (distance) P-C4' energy: -12.645
flat angles C4'-P-C4' energy: -10.717
flat angles P-C4'-P energy: -4.524
tors. eta vs tors. theta energy: -5.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -324.241356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.241356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.241356 (E_RNA)
where:
Base-Base interactions energy: -224.352
where: short stacking energy: -92.413
Base-Backbone interact. energy: 0.096
local terms energy: -99.986037
where:
bonds (distance) C4'-P energy: -20.485
bonds (distance) P-C4' energy: -21.500
flat angles C4'-P-C4' energy: -20.740
flat angles P-C4'-P energy: -13.614
tors. eta vs tors. theta energy: -23.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -326.464553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.464553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.464553 (E_RNA)
where:
Base-Base interactions energy: -216.466
where: short stacking energy: -94.817
Base-Backbone interact. energy: 0.469
local terms energy: -110.468089
where:
bonds (distance) C4'-P energy: -23.168
bonds (distance) P-C4' energy: -22.250
flat angles C4'-P-C4' energy: -20.296
flat angles P-C4'-P energy: -16.441
tors. eta vs tors. theta energy: -28.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -320.795187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.795187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.795187 (E_RNA)
where:
Base-Base interactions energy: -227.799
where: short stacking energy: -98.985
Base-Backbone interact. energy: -0.647
local terms energy: -92.349035
where:
bonds (distance) C4'-P energy: -11.637
bonds (distance) P-C4' energy: -17.073
flat angles C4'-P-C4' energy: -21.994
flat angles P-C4'-P energy: -16.502
tors. eta vs tors. theta energy: -25.143
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: 3
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -311.055470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.055470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.055470 (E_RNA)
where:
Base-Base interactions energy: -213.823
where: short stacking energy: -97.138
Base-Backbone interact. energy: 0.545
local terms energy: -97.777594
where:
bonds (distance) C4'-P energy: -17.629
bonds (distance) P-C4' energy: -19.173
flat angles C4'-P-C4' energy: -21.459
flat angles P-C4'-P energy: -15.622
tors. eta vs tors. theta energy: -23.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -273.329110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.329110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.329110 (E_RNA)
where:
Base-Base interactions energy: -183.676
where: short stacking energy: -75.742
Base-Backbone interact. energy: -0.363
local terms energy: -89.290584
where:
bonds (distance) C4'-P energy: -17.652
bonds (distance) P-C4' energy: -18.773
flat angles C4'-P-C4' energy: -15.568
flat angles P-C4'-P energy: -17.813
tors. eta vs tors. theta energy: -19.485
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: 10
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -274.665872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.665872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.665872 (E_RNA)
where:
Base-Base interactions energy: -188.474
where: short stacking energy: -71.523
Base-Backbone interact. energy: -0.085
local terms energy: -86.106444
where:
bonds (distance) C4'-P energy: -20.593
bonds (distance) P-C4' energy: -21.595
flat angles C4'-P-C4' energy: -16.725
flat angles P-C4'-P energy: -6.298
tors. eta vs tors. theta energy: -20.895
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: 5
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -164.201657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.201657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.201657 (E_RNA)
where:
Base-Base interactions energy: -101.104
where: short stacking energy: -51.142
Base-Backbone interact. energy: -0.315
local terms energy: -62.782710
where:
bonds (distance) C4'-P energy: -13.977
bonds (distance) P-C4' energy: -21.014
flat angles C4'-P-C4' energy: -17.440
flat angles P-C4'-P energy: -4.133
tors. eta vs tors. theta energy: -6.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -201.339296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.339296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.339296 (E_RNA)
where:
Base-Base interactions energy: -129.734
where: short stacking energy: -62.326
Base-Backbone interact. energy: 0.568
local terms energy: -72.173987
where:
bonds (distance) C4'-P energy: -18.956
bonds (distance) P-C4' energy: -16.712
flat angles C4'-P-C4' energy: -17.310
flat angles P-C4'-P energy: -7.374
tors. eta vs tors. theta energy: -11.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -105.131588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.131588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.131588 (E_RNA)
where:
Base-Base interactions energy: -44.028
where: short stacking energy: -25.028
Base-Backbone interact. energy: 0.756
local terms energy: -61.858760
where:
bonds (distance) C4'-P energy: -18.004
bonds (distance) P-C4' energy: -21.790
flat angles C4'-P-C4' energy: -18.083
flat angles P-C4'-P energy: -6.472
tors. eta vs tors. theta energy: 2.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -136.781000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.781000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.781000 (E_RNA)
where:
Base-Base interactions energy: -75.806
where: short stacking energy: -42.300
Base-Backbone interact. energy: -0.697
local terms energy: -60.277839
where:
bonds (distance) C4'-P energy: -14.419
bonds (distance) P-C4' energy: -16.455
flat angles C4'-P-C4' energy: -16.965
flat angles P-C4'-P energy: -6.522
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: 1, replica: 7
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -337.024134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.024134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.024134 (E_RNA)
where:
Base-Base interactions energy: -233.265
where: short stacking energy: -103.185
Base-Backbone interact. energy: -0.135
local terms energy: -103.624266
where:
bonds (distance) C4'-P energy: -22.720
bonds (distance) P-C4' energy: -16.259
flat angles C4'-P-C4' energy: -20.728
flat angles P-C4'-P energy: -14.489
tors. eta vs tors. theta energy: -29.429
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: 2, replica: 6
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -320.561477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.561477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.561477 (E_RNA)
where:
Base-Base interactions energy: -218.954
where: short stacking energy: -94.033
Base-Backbone interact. energy: -0.303
local terms energy: -101.304851
where:
bonds (distance) C4'-P energy: -18.701
bonds (distance) P-C4' energy: -19.918
flat angles C4'-P-C4' energy: -23.760
flat angles P-C4'-P energy: -13.368
tors. eta vs tors. theta energy: -25.558
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: 3
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -309.187352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.187352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.187352 (E_RNA)
where:
Base-Base interactions energy: -211.559
where: short stacking energy: -79.287
Base-Backbone interact. energy: 0.372
local terms energy: -98.000257
where:
bonds (distance) C4'-P energy: -19.801
bonds (distance) P-C4' energy: -18.331
flat angles C4'-P-C4' energy: -19.988
flat angles P-C4'-P energy: -18.011
tors. eta vs tors. theta energy: -21.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -312.074240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.074240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.074240 (E_RNA)
where:
Base-Base interactions energy: -207.501
where: short stacking energy: -81.513
Base-Backbone interact. energy: -0.190
local terms energy: -104.383532
where:
bonds (distance) C4'-P energy: -20.494
bonds (distance) P-C4' energy: -22.899
flat angles C4'-P-C4' energy: -21.957
flat angles P-C4'-P energy: -13.509
tors. eta vs tors. theta energy: -25.525
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: 398
Temperature: 1.100000
Total energy: -285.078717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.078717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.078717 (E_RNA)
where:
Base-Base interactions energy: -203.989
where: short stacking energy: -73.673
Base-Backbone interact. energy: -0.201
local terms energy: -80.889272
where:
bonds (distance) C4'-P energy: -19.895
bonds (distance) P-C4' energy: -20.960
flat angles C4'-P-C4' energy: -15.541
flat angles P-C4'-P energy: -3.812
tors. eta vs tors. theta energy: -20.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -265.080955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.080955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.080955 (E_RNA)
where:
Base-Base interactions energy: -192.649
where: short stacking energy: -75.738
Base-Backbone interact. energy: -0.316
local terms energy: -72.116122
where:
bonds (distance) C4'-P energy: -17.853
bonds (distance) P-C4' energy: -17.637
flat angles C4'-P-C4' energy: -13.012
flat angles P-C4'-P energy: -5.078
tors. eta vs tors. theta energy: -18.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -198.354260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.354260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.354260 (E_RNA)
where:
Base-Base interactions energy: -123.782
where: short stacking energy: -63.220
Base-Backbone interact. energy: 1.688
local terms energy: -76.260025
where:
bonds (distance) C4'-P energy: -15.342
bonds (distance) P-C4' energy: -19.334
flat angles C4'-P-C4' energy: -16.047
flat angles P-C4'-P energy: -13.642
tors. eta vs tors. theta energy: -11.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -155.327165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.327165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.327165 (E_RNA)
where:
Base-Base interactions energy: -90.617
where: short stacking energy: -43.366
Base-Backbone interact. energy: -0.131
local terms energy: -64.579114
where:
bonds (distance) C4'-P energy: -14.540
bonds (distance) P-C4' energy: -16.438
flat angles C4'-P-C4' energy: -17.436
flat angles P-C4'-P energy: -11.870
tors. eta vs tors. theta energy: -4.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -107.737992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.737992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.737992 (E_RNA)
where:
Base-Base interactions energy: -34.733
where: short stacking energy: -32.014
Base-Backbone interact. energy: -0.366
local terms energy: -72.639250
where:
bonds (distance) C4'-P energy: -20.790
bonds (distance) P-C4' energy: -23.533
flat angles C4'-P-C4' energy: -17.381
flat angles P-C4'-P energy: -11.605
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: 10, replica: 9
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -98.782334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.782334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.782334 (E_RNA)
where:
Base-Base interactions energy: -46.449
where: short stacking energy: -36.562
Base-Backbone interact. energy: 0.850
local terms energy: -53.183612
where:
bonds (distance) C4'-P energy: -17.524
bonds (distance) P-C4' energy: -12.319
flat angles C4'-P-C4' energy: -17.512
flat angles P-C4'-P energy: -5.807
tors. eta vs tors. theta energy: -0.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -333.073446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.073446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.073446 (E_RNA)
where:
Base-Base interactions energy: -228.572
where: short stacking energy: -100.606
Base-Backbone interact. energy: 0.102
local terms energy: -104.603334
where:
bonds (distance) C4'-P energy: -22.027
bonds (distance) P-C4' energy: -17.580
flat angles C4'-P-C4' energy: -20.473
flat angles P-C4'-P energy: -15.605
tors. eta vs tors. theta energy: -28.918
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: 399
Temperature: 0.950000
Total energy: -323.110473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.110473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.110473 (E_RNA)
where:
Base-Base interactions energy: -223.589
where: short stacking energy: -101.774
Base-Backbone interact. energy: -0.070
local terms energy: -99.450672
where:
bonds (distance) C4'-P energy: -21.251
bonds (distance) P-C4' energy: -14.775
flat angles C4'-P-C4' energy: -21.590
flat angles P-C4'-P energy: -15.443
tors. eta vs tors. theta energy: -26.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -318.321182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.321182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.321182 (E_RNA)
where:
Base-Base interactions energy: -218.288
where: short stacking energy: -87.202
Base-Backbone interact. energy: -0.252
local terms energy: -99.781487
where:
bonds (distance) C4'-P energy: -20.307
bonds (distance) P-C4' energy: -19.983
flat angles C4'-P-C4' energy: -19.473
flat angles P-C4'-P energy: -14.404
tors. eta vs tors. theta energy: -25.615
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: 4, replica: 2
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -313.957968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.957968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.957968 (E_RNA)
where:
Base-Base interactions energy: -212.192
where: short stacking energy: -86.063
Base-Backbone interact. energy: -0.201
local terms energy: -101.565835
where:
bonds (distance) C4'-P energy: -22.708
bonds (distance) P-C4' energy: -20.476
flat angles C4'-P-C4' energy: -18.060
flat angles P-C4'-P energy: -16.243
tors. eta vs tors. theta energy: -24.080
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: 5, replica: 10
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -280.666956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.666956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.666956 (E_RNA)
where:
Base-Base interactions energy: -194.926
where: short stacking energy: -76.799
Base-Backbone interact. energy: -1.099
local terms energy: -84.641778
where:
bonds (distance) C4'-P energy: -18.779
bonds (distance) P-C4' energy: -16.629
flat angles C4'-P-C4' energy: -20.345
flat angles P-C4'-P energy: -13.622
tors. eta vs tors. theta energy: -15.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -247.457547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.457547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.457547 (E_RNA)
where:
Base-Base interactions energy: -158.052
where: short stacking energy: -70.685
Base-Backbone interact. energy: -0.450
local terms energy: -88.956065
where:
bonds (distance) C4'-P energy: -15.371
bonds (distance) P-C4' energy: -18.779
flat angles C4'-P-C4' energy: -20.005
flat angles P-C4'-P energy: -14.503
tors. eta vs tors. theta energy: -20.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -198.975844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.975844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.975844 (E_RNA)
where:
Base-Base interactions energy: -122.622
where: short stacking energy: -62.965
Base-Backbone interact. energy: -1.432
local terms energy: -74.921716
where:
bonds (distance) C4'-P energy: -19.204
bonds (distance) P-C4' energy: -18.292
flat angles C4'-P-C4' energy: -12.724
flat angles P-C4'-P energy: -9.048
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: 8, replica: 5
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -176.875276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.875276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.875276 (E_RNA)
where:
Base-Base interactions energy: -109.750
where: short stacking energy: -51.037
Base-Backbone interact. energy: -0.454
local terms energy: -66.671457
where:
bonds (distance) C4'-P energy: -21.133
bonds (distance) P-C4' energy: -9.527
flat angles C4'-P-C4' energy: -16.845
flat angles P-C4'-P energy: -9.275
tors. eta vs tors. theta energy: -9.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -132.820786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.820786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.820786 (E_RNA)
where:
Base-Base interactions energy: -73.395
where: short stacking energy: -40.160
Base-Backbone interact. energy: -0.271
local terms energy: -59.155224
where:
bonds (distance) C4'-P energy: -12.673
bonds (distance) P-C4' energy: -17.797
flat angles C4'-P-C4' energy: -15.421
flat angles P-C4'-P energy: -10.359
tors. eta vs tors. theta energy: -2.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -100.711136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.711136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.711136 (E_RNA)
where:
Base-Base interactions energy: -36.694
where: short stacking energy: -36.268
Base-Backbone interact. energy: -0.094
local terms energy: -63.922964
where:
bonds (distance) C4'-P energy: -18.377
bonds (distance) P-C4' energy: -22.842
flat angles C4'-P-C4' energy: -10.994
flat angles P-C4'-P energy: -7.703
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: 1, replica: 3
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -326.078650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.078650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.078650 (E_RNA)
where:
Base-Base interactions energy: -227.555
where: short stacking energy: -97.042
Base-Backbone interact. energy: 1.085
local terms energy: -99.608624
where:
bonds (distance) C4'-P energy: -20.475
bonds (distance) P-C4' energy: -19.541
flat angles C4'-P-C4' energy: -19.282
flat angles P-C4'-P energy: -13.029
tors. eta vs tors. theta energy: -27.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -326.843596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.843596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.843596 (E_RNA)
where:
Base-Base interactions energy: -214.036
where: short stacking energy: -94.329
Base-Backbone interact. energy: -0.196
local terms energy: -112.612262
where:
bonds (distance) C4'-P energy: -22.893
bonds (distance) P-C4' energy: -23.494
flat angles C4'-P-C4' energy: -23.151
flat angles P-C4'-P energy: -16.184
tors. eta vs tors. theta energy: -26.890
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: 2
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -328.706349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.706349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.706349 (E_RNA)
where:
Base-Base interactions energy: -223.543
where: short stacking energy: -93.903
Base-Backbone interact. energy: -0.231
local terms energy: -104.932223
where:
bonds (distance) C4'-P energy: -19.330
bonds (distance) P-C4' energy: -16.874
flat angles C4'-P-C4' energy: -22.255
flat angles P-C4'-P energy: -16.552
tors. eta vs tors. theta energy: -29.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -318.684904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.684904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.684904 (E_RNA)
where:
Base-Base interactions energy: -217.982
where: short stacking energy: -87.240
Base-Backbone interact. energy: 0.146
local terms energy: -100.849023
where:
bonds (distance) C4'-P energy: -16.924
bonds (distance) P-C4' energy: -23.540
flat angles C4'-P-C4' energy: -21.333
flat angles P-C4'-P energy: -15.377
tors. eta vs tors. theta energy: -23.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -291.723065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.723065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.723065 (E_RNA)
where:
Base-Base interactions energy: -203.328
where: short stacking energy: -75.750
Base-Backbone interact. energy: -0.464
local terms energy: -87.931348
where:
bonds (distance) C4'-P energy: -21.867
bonds (distance) P-C4' energy: -20.858
flat angles C4'-P-C4' energy: -16.730
flat angles P-C4'-P energy: -11.562
tors. eta vs tors. theta energy: -16.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -263.997612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.997612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.997612 (E_RNA)
where:
Base-Base interactions energy: -175.276
where: short stacking energy: -80.438
Base-Backbone interact. energy: 0.103
local terms energy: -88.824836
where:
bonds (distance) C4'-P energy: -18.697
bonds (distance) P-C4' energy: -18.708
flat angles C4'-P-C4' energy: -21.100
flat angles P-C4'-P energy: -7.858
tors. eta vs tors. theta energy: -22.462
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: 4
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -182.331983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.331983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.331983 (E_RNA)
where:
Base-Base interactions energy: -108.946
where: short stacking energy: -62.149
Base-Backbone interact. energy: -0.173
local terms energy: -73.212790
where:
bonds (distance) C4'-P energy: -13.654
bonds (distance) P-C4' energy: -19.837
flat angles C4'-P-C4' energy: -13.493
flat angles P-C4'-P energy: -7.420
tors. eta vs tors. theta energy: -18.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -165.491369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.491369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.491369 (E_RNA)
where:
Base-Base interactions energy: -98.671
where: short stacking energy: -45.252
Base-Backbone interact. energy: -0.271
local terms energy: -66.548954
where:
bonds (distance) C4'-P energy: -11.025
bonds (distance) P-C4' energy: -16.362
flat angles C4'-P-C4' energy: -16.562
flat angles P-C4'-P energy: -10.604
tors. eta vs tors. theta energy: -11.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -106.841874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.841874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.841874 (E_RNA)
where:
Base-Base interactions energy: -47.127
where: short stacking energy: -30.077
Base-Backbone interact. energy: -0.963
local terms energy: -58.751669
where:
bonds (distance) C4'-P energy: -14.808
bonds (distance) P-C4' energy: -18.127
flat angles C4'-P-C4' energy: -12.039
flat angles P-C4'-P energy: -12.467
tors. eta vs tors. theta energy: -1.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -152.230977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.230977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.230977 (E_RNA)
where:
Base-Base interactions energy: -83.446
where: short stacking energy: -41.359
Base-Backbone interact. energy: -1.251
local terms energy: -67.533845
where:
bonds (distance) C4'-P energy: -21.603
bonds (distance) P-C4' energy: -13.761
flat angles C4'-P-C4' energy: -18.263
flat angles P-C4'-P energy: -2.541
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: 1, replica: 3
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -333.967063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.967063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.967063 (E_RNA)
where:
Base-Base interactions energy: -232.439
where: short stacking energy: -104.287
Base-Backbone interact. energy: -0.144
local terms energy: -101.384245
where:
bonds (distance) C4'-P energy: -20.224
bonds (distance) P-C4' energy: -18.994
flat angles C4'-P-C4' energy: -18.994
flat angles P-C4'-P energy: -13.298
tors. eta vs tors. theta energy: -29.874
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: 2, replica: 2
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -320.514831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.514831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.514831 (E_RNA)
where:
Base-Base interactions energy: -216.442
where: short stacking energy: -89.721
Base-Backbone interact. energy: 0.041
local terms energy: -104.113472
where:
bonds (distance) C4'-P energy: -22.313
bonds (distance) P-C4' energy: -19.932
flat angles C4'-P-C4' energy: -21.077
flat angles P-C4'-P energy: -13.369
tors. eta vs tors. theta energy: -27.422
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: 401
Temperature: 1.000000
Total energy: -311.605554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.605554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.605554 (E_RNA)
where:
Base-Base interactions energy: -207.885
where: short stacking energy: -88.333
Base-Backbone interact. energy: -0.096
local terms energy: -103.624790
where:
bonds (distance) C4'-P energy: -19.255
bonds (distance) P-C4' energy: -21.849
flat angles C4'-P-C4' energy: -19.265
flat angles P-C4'-P energy: -15.379
tors. eta vs tors. theta energy: -27.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -313.641789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.641789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.641789 (E_RNA)
where:
Base-Base interactions energy: -220.452
where: short stacking energy: -90.185
Base-Backbone interact. energy: -0.667
local terms energy: -92.521933
where:
bonds (distance) C4'-P energy: -16.862
bonds (distance) P-C4' energy: -18.240
flat angles C4'-P-C4' energy: -20.116
flat angles P-C4'-P energy: -15.818
tors. eta vs tors. theta energy: -21.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -293.004030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.004030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.004030 (E_RNA)
where:
Base-Base interactions energy: -210.987
where: short stacking energy: -90.104
Base-Backbone interact. energy: -0.091
local terms energy: -81.926629
where:
bonds (distance) C4'-P energy: -13.740
bonds (distance) P-C4' energy: -20.127
flat angles C4'-P-C4' energy: -20.051
flat angles P-C4'-P energy: -5.107
tors. eta vs tors. theta energy: -22.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -222.762909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.762909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.762909 (E_RNA)
where:
Base-Base interactions energy: -144.688
where: short stacking energy: -59.674
Base-Backbone interact. energy: 0.110
local terms energy: -78.185083
where:
bonds (distance) C4'-P energy: -16.850
bonds (distance) P-C4' energy: -16.047
flat angles C4'-P-C4' energy: -17.978
flat angles P-C4'-P energy: -14.576
tors. eta vs tors. theta energy: -12.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -238.133582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.133582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.133582 (E_RNA)
where:
Base-Base interactions energy: -157.549
where: short stacking energy: -65.898
Base-Backbone interact. energy: -0.454
local terms energy: -80.130170
where:
bonds (distance) C4'-P energy: -14.209
bonds (distance) P-C4' energy: -16.599
flat angles C4'-P-C4' energy: -17.428
flat angles P-C4'-P energy: -13.560
tors. eta vs tors. theta energy: -18.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -162.291008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.291008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.291008 (E_RNA)
where:
Base-Base interactions energy: -96.522
where: short stacking energy: -48.432
Base-Backbone interact. energy: -0.132
local terms energy: -65.637246
where:
bonds (distance) C4'-P energy: -19.305
bonds (distance) P-C4' energy: -19.816
flat angles C4'-P-C4' energy: -16.412
flat angles P-C4'-P energy: -7.946
tors. eta vs tors. theta energy: -2.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -114.280225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.280225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.280225 (E_RNA)
where:
Base-Base interactions energy: -45.105
where: short stacking energy: -24.820
Base-Backbone interact. energy: -0.321
local terms energy: -68.854140
where:
bonds (distance) C4'-P energy: -21.421
bonds (distance) P-C4' energy: -18.338
flat angles C4'-P-C4' energy: -16.152
flat angles P-C4'-P energy: -14.231
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: 10, replica: 1
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -136.459736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.459736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.459736 (E_RNA)
where:
Base-Base interactions energy: -77.882
where: short stacking energy: -39.185
Base-Backbone interact. energy: -0.718
local terms energy: -57.859240
where:
bonds (distance) C4'-P energy: -15.777
bonds (distance) P-C4' energy: -17.716
flat angles C4'-P-C4' energy: -16.837
flat angles P-C4'-P energy: -7.227
tors. eta vs tors. theta energy: -0.302
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: 2
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -327.804688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.804688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.804688 (E_RNA)
where:
Base-Base interactions energy: -220.247
where: short stacking energy: -99.653
Base-Backbone interact. energy: -0.144
local terms energy: -107.413274
where:
bonds (distance) C4'-P energy: -22.065
bonds (distance) P-C4' energy: -20.232
flat angles C4'-P-C4' energy: -23.345
flat angles P-C4'-P energy: -14.998
tors. eta vs tors. theta energy: -26.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -327.002530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.002530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.002530 (E_RNA)
where:
Base-Base interactions energy: -223.074
where: short stacking energy: -95.801
Base-Backbone interact. energy: -0.608
local terms energy: -103.320854
where:
bonds (distance) C4'-P energy: -17.893
bonds (distance) P-C4' energy: -19.086
flat angles C4'-P-C4' energy: -22.957
flat angles P-C4'-P energy: -13.886
tors. eta vs tors. theta energy: -29.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -314.362513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.362513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.362513 (E_RNA)
where:
Base-Base interactions energy: -216.394
where: short stacking energy: -95.011
Base-Backbone interact. energy: -0.089
local terms energy: -97.878728
where:
bonds (distance) C4'-P energy: -16.187
bonds (distance) P-C4' energy: -16.095
flat angles C4'-P-C4' energy: -22.172
flat angles P-C4'-P energy: -14.651
tors. eta vs tors. theta energy: -28.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -304.078931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.078931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.078931 (E_RNA)
where:
Base-Base interactions energy: -213.194
where: short stacking energy: -89.887
Base-Backbone interact. energy: 0.352
local terms energy: -91.236871
where:
bonds (distance) C4'-P energy: -18.848
bonds (distance) P-C4' energy: -17.809
flat angles C4'-P-C4' energy: -17.748
flat angles P-C4'-P energy: -10.203
tors. eta vs tors. theta energy: -26.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -294.291443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.291443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.291443 (E_RNA)
where:
Base-Base interactions energy: -206.638
where: short stacking energy: -90.998
Base-Backbone interact. energy: -0.098
local terms energy: -87.555589
where:
bonds (distance) C4'-P energy: -20.196
bonds (distance) P-C4' energy: -19.626
flat angles C4'-P-C4' energy: -17.830
flat angles P-C4'-P energy: -10.386
tors. eta vs tors. theta energy: -19.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -240.897980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.897980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.897980 (E_RNA)
where:
Base-Base interactions energy: -160.824
where: short stacking energy: -64.148
Base-Backbone interact. energy: -1.171
local terms energy: -78.903366
where:
bonds (distance) C4'-P energy: -22.521
bonds (distance) P-C4' energy: -18.315
flat angles C4'-P-C4' energy: -19.098
flat angles P-C4'-P energy: -3.979
tors. eta vs tors. theta energy: -14.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -213.916139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.916139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.916139 (E_RNA)
where:
Base-Base interactions energy: -133.995
where: short stacking energy: -64.274
Base-Backbone interact. energy: -1.412
local terms energy: -78.508947
where:
bonds (distance) C4'-P energy: -16.639
bonds (distance) P-C4' energy: -19.172
flat angles C4'-P-C4' energy: -17.854
flat angles P-C4'-P energy: -10.479
tors. eta vs tors. theta energy: -14.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -182.088056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.088056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.088056 (E_RNA)
where:
Base-Base interactions energy: -113.367
where: short stacking energy: -66.739
Base-Backbone interact. energy: -0.199
local terms energy: -68.522118
where:
bonds (distance) C4'-P energy: -12.171
bonds (distance) P-C4' energy: -13.430
flat angles C4'-P-C4' energy: -17.563
flat angles P-C4'-P energy: -14.632
tors. eta vs tors. theta energy: -10.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -101.857636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.857636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.857636 (E_RNA)
where:
Base-Base interactions energy: -31.061
where: short stacking energy: -31.261
Base-Backbone interact. energy: -0.393
local terms energy: -70.403734
where:
bonds (distance) C4'-P energy: -19.099
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -17.879
flat angles P-C4'-P energy: -13.294
tors. eta vs tors. theta energy: -3.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -97.517213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.517213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.517213 (E_RNA)
where:
Base-Base interactions energy: -37.181
where: short stacking energy: -31.535
Base-Backbone interact. energy: -0.569
local terms energy: -59.767671
where:
bonds (distance) C4'-P energy: -15.807
bonds (distance) P-C4' energy: -18.938
flat angles C4'-P-C4' energy: -17.745
flat angles P-C4'-P energy: -10.939
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: 1, replica: 2
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -328.923784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.923784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.923784 (E_RNA)
where:
Base-Base interactions energy: -221.367
where: short stacking energy: -95.447
Base-Backbone interact. energy: -0.446
local terms energy: -107.110288
where:
bonds (distance) C4'-P energy: -20.936
bonds (distance) P-C4' energy: -19.793
flat angles C4'-P-C4' energy: -19.497
flat angles P-C4'-P energy: -17.496
tors. eta vs tors. theta energy: -29.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -319.645364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.645364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.645364 (E_RNA)
where:
Base-Base interactions energy: -218.528
where: short stacking energy: -89.878
Base-Backbone interact. energy: -0.024
local terms energy: -101.092996
where:
bonds (distance) C4'-P energy: -19.209
bonds (distance) P-C4' energy: -19.474
flat angles C4'-P-C4' energy: -23.355
flat angles P-C4'-P energy: -12.388
tors. eta vs tors. theta energy: -26.666
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: 7
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -320.053523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.053523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.053523 (E_RNA)
where:
Base-Base interactions energy: -225.589
where: short stacking energy: -96.998
Base-Backbone interact. energy: -0.227
local terms energy: -94.237556
where:
bonds (distance) C4'-P energy: -17.044
bonds (distance) P-C4' energy: -19.231
flat angles C4'-P-C4' energy: -20.299
flat angles P-C4'-P energy: -13.280
tors. eta vs tors. theta energy: -24.383
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: 10
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -299.063932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.063932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.063932 (E_RNA)
where:
Base-Base interactions energy: -199.115
where: short stacking energy: -82.723
Base-Backbone interact. energy: -0.039
local terms energy: -99.909745
where:
bonds (distance) C4'-P energy: -20.058
bonds (distance) P-C4' energy: -21.727
flat angles C4'-P-C4' energy: -18.595
flat angles P-C4'-P energy: -13.280
tors. eta vs tors. theta energy: -26.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -292.389883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.389883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.389883 (E_RNA)
where:
Base-Base interactions energy: -193.607
where: short stacking energy: -76.881
Base-Backbone interact. energy: -0.043
local terms energy: -98.740078
where:
bonds (distance) C4'-P energy: -20.031
bonds (distance) P-C4' energy: -21.886
flat angles C4'-P-C4' energy: -19.540
flat angles P-C4'-P energy: -16.024
tors. eta vs tors. theta energy: -21.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -244.835718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.835718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.835718 (E_RNA)
where:
Base-Base interactions energy: -157.561
where: short stacking energy: -78.584
Base-Backbone interact. energy: -0.005
local terms energy: -87.269544
where:
bonds (distance) C4'-P energy: -17.590
bonds (distance) P-C4' energy: -21.174
flat angles C4'-P-C4' energy: -15.157
flat angles P-C4'-P energy: -12.404
tors. eta vs tors. theta energy: -20.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -189.877445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.877445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.877445 (E_RNA)
where:
Base-Base interactions energy: -109.989
where: short stacking energy: -58.861
Base-Backbone interact. energy: -0.170
local terms energy: -79.718421
where:
bonds (distance) C4'-P energy: -22.636
bonds (distance) P-C4' energy: -21.156
flat angles C4'-P-C4' energy: -16.580
flat angles P-C4'-P energy: -8.285
tors. eta vs tors. theta energy: -11.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -111.934585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.934585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.934585 (E_RNA)
where:
Base-Base interactions energy: -45.751
where: short stacking energy: -33.156
Base-Backbone interact. energy: -1.563
local terms energy: -64.621452
where:
bonds (distance) C4'-P energy: -19.801
bonds (distance) P-C4' energy: -18.248
flat angles C4'-P-C4' energy: -17.362
flat angles P-C4'-P energy: -11.245
tors. eta vs tors. theta energy: 2.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -159.617043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.617043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.617043 (E_RNA)
where:
Base-Base interactions energy: -96.751
where: short stacking energy: -51.081
Base-Backbone interact. energy: 0.689
local terms energy: -63.554997
where:
bonds (distance) C4'-P energy: -18.265
bonds (distance) P-C4' energy: -15.603
flat angles C4'-P-C4' energy: -17.829
flat angles P-C4'-P energy: -10.790
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: 9
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -101.641014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.641014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.641014 (E_RNA)
where:
Base-Base interactions energy: -38.337
where: short stacking energy: -36.542
Base-Backbone interact. energy: -0.205
local terms energy: -63.098722
where:
bonds (distance) C4'-P energy: -13.024
bonds (distance) P-C4' energy: -18.134
flat angles C4'-P-C4' energy: -11.338
flat angles P-C4'-P energy: -14.434
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: 1, replica: 3
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -326.130028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.130028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.130028 (E_RNA)
where:
Base-Base interactions energy: -233.538
where: short stacking energy: -107.367
Base-Backbone interact. energy: -0.203
local terms energy: -92.389602
where:
bonds (distance) C4'-P energy: -13.223
bonds (distance) P-C4' energy: -18.657
flat angles C4'-P-C4' energy: -19.627
flat angles P-C4'-P energy: -16.397
tors. eta vs tors. theta energy: -24.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -318.687937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.687937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.687937 (E_RNA)
where:
Base-Base interactions energy: -215.348
where: short stacking energy: -87.921
Base-Backbone interact. energy: -0.178
local terms energy: -103.162479
where:
bonds (distance) C4'-P energy: -21.039
bonds (distance) P-C4' energy: -21.196
flat angles C4'-P-C4' energy: -21.393
flat angles P-C4'-P energy: -13.613
tors. eta vs tors. theta energy: -25.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -300.182224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.182224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.182224 (E_RNA)
where:
Base-Base interactions energy: -209.325
where: short stacking energy: -82.022
Base-Backbone interact. energy: 0.536
local terms energy: -91.392815
where:
bonds (distance) C4'-P energy: -22.963
bonds (distance) P-C4' energy: -20.030
flat angles C4'-P-C4' energy: -20.746
flat angles P-C4'-P energy: -5.749
tors. eta vs tors. theta energy: -21.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -318.800625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.800625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.800625 (E_RNA)
where:
Base-Base interactions energy: -213.922
where: short stacking energy: -95.932
Base-Backbone interact. energy: -0.071
local terms energy: -104.807858
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -21.713
flat angles C4'-P-C4' energy: -22.860
flat angles P-C4'-P energy: -14.433
tors. eta vs tors. theta energy: -29.666
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: 6
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -281.370015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.370015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.370015 (E_RNA)
where:
Base-Base interactions energy: -181.199
where: short stacking energy: -83.479
Base-Backbone interact. energy: -0.212
local terms energy: -99.959214
where:
bonds (distance) C4'-P energy: -19.875
bonds (distance) P-C4' energy: -22.197
flat angles C4'-P-C4' energy: -19.966
flat angles P-C4'-P energy: -11.659
tors. eta vs tors. theta energy: -26.262
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: 6, replica: 8
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -255.861196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.861196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.861196 (E_RNA)
where:
Base-Base interactions energy: -175.112
where: short stacking energy: -81.700
Base-Backbone interact. energy: 2.307
local terms energy: -83.055261
where:
bonds (distance) C4'-P energy: -19.439
bonds (distance) P-C4' energy: -14.396
flat angles C4'-P-C4' energy: -18.182
flat angles P-C4'-P energy: -12.823
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: 7, replica: 4
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -170.549180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.549180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.549180 (E_RNA)
where:
Base-Base interactions energy: -97.655
where: short stacking energy: -60.368
Base-Backbone interact. energy: -0.237
local terms energy: -72.657460
where:
bonds (distance) C4'-P energy: -17.760
bonds (distance) P-C4' energy: -19.922
flat angles C4'-P-C4' energy: -11.990
flat angles P-C4'-P energy: -9.279
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: 8, replica: 1
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -109.020850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.020850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.020850 (E_RNA)
where:
Base-Base interactions energy: -42.933
where: short stacking energy: -35.822
Base-Backbone interact. energy: -0.286
local terms energy: -65.801858
where:
bonds (distance) C4'-P energy: -20.907
bonds (distance) P-C4' energy: -18.371
flat angles C4'-P-C4' energy: -15.731
flat angles P-C4'-P energy: -6.752
tors. eta vs tors. theta energy: -4.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -100.820144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.820144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.820144 (E_RNA)
where:
Base-Base interactions energy: -40.986
where: short stacking energy: -38.996
Base-Backbone interact. energy: -0.038
local terms energy: -59.796403
where:
bonds (distance) C4'-P energy: -14.315
bonds (distance) P-C4' energy: -17.753
flat angles C4'-P-C4' energy: -12.741
flat angles P-C4'-P energy: -12.916
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: 5
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -139.197582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.197582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.197582 (E_RNA)
where:
Base-Base interactions energy: -78.361
where: short stacking energy: -34.497
Base-Backbone interact. energy: -0.755
local terms energy: -60.080929
where:
bonds (distance) C4'-P energy: -13.314
bonds (distance) P-C4' energy: -21.691
flat angles C4'-P-C4' energy: -11.594
flat angles P-C4'-P energy: -12.434
tors. eta vs tors. theta energy: -1.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -329.339762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.339762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.339762 (E_RNA)
where:
Base-Base interactions energy: -219.671
where: short stacking energy: -98.273
Base-Backbone interact. energy: -0.314
local terms energy: -109.354134
where:
bonds (distance) C4'-P energy: -21.234
bonds (distance) P-C4' energy: -23.437
flat angles C4'-P-C4' energy: -20.049
flat angles P-C4'-P energy: -17.013
tors. eta vs tors. theta energy: -27.621
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: 2
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -319.747490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.747490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.747490 (E_RNA)
where:
Base-Base interactions energy: -220.842
where: short stacking energy: -88.327
Base-Backbone interact. energy: -0.055
local terms energy: -98.850595
where:
bonds (distance) C4'-P energy: -23.043
bonds (distance) P-C4' energy: -23.184
flat angles C4'-P-C4' energy: -21.951
flat angles P-C4'-P energy: -7.238
tors. eta vs tors. theta energy: -23.434
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: 10
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -295.015173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.015173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.015173 (E_RNA)
where:
Base-Base interactions energy: -191.942
where: short stacking energy: -84.997
Base-Backbone interact. energy: -0.031
local terms energy: -103.042094
where:
bonds (distance) C4'-P energy: -23.950
bonds (distance) P-C4' energy: -22.897
flat angles C4'-P-C4' energy: -19.201
flat angles P-C4'-P energy: -15.637
tors. eta vs tors. theta energy: -21.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -315.558497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.558497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.558497 (E_RNA)
where:
Base-Base interactions energy: -206.206
where: short stacking energy: -84.602
Base-Backbone interact. energy: -1.575
local terms energy: -107.778170
where:
bonds (distance) C4'-P energy: -19.345
bonds (distance) P-C4' energy: -21.160
flat angles C4'-P-C4' energy: -22.839
flat angles P-C4'-P energy: -16.522
tors. eta vs tors. theta energy: -27.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -285.904925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.904925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.904925 (E_RNA)
where:
Base-Base interactions energy: -189.655
where: short stacking energy: -76.863
Base-Backbone interact. energy: -0.034
local terms energy: -96.215185
where:
bonds (distance) C4'-P energy: -20.505
bonds (distance) P-C4' energy: -18.800
flat angles C4'-P-C4' energy: -17.095
flat angles P-C4'-P energy: -15.244
tors. eta vs tors. theta energy: -24.572
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: 8
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -245.539902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.539902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.539902 (E_RNA)
where:
Base-Base interactions energy: -161.854
where: short stacking energy: -79.194
Base-Backbone interact. energy: 1.009
local terms energy: -84.695046
where:
bonds (distance) C4'-P energy: -18.501
bonds (distance) P-C4' energy: -18.249
flat angles C4'-P-C4' energy: -15.487
flat angles P-C4'-P energy: -12.001
tors. eta vs tors. theta energy: -20.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -194.994443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.994443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.994443 (E_RNA)
where:
Base-Base interactions energy: -107.228
where: short stacking energy: -50.476
Base-Backbone interact. energy: -0.610
local terms energy: -87.156475
where:
bonds (distance) C4'-P energy: -16.091
bonds (distance) P-C4' energy: -23.847
flat angles C4'-P-C4' energy: -19.499
flat angles P-C4'-P energy: -11.648
tors. eta vs tors. theta energy: -16.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -113.181424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.181424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.181424 (E_RNA)
where:
Base-Base interactions energy: -42.061
where: short stacking energy: -37.689
Base-Backbone interact. energy: -0.789
local terms energy: -70.331349
where:
bonds (distance) C4'-P energy: -20.451
bonds (distance) P-C4' energy: -17.626
flat angles C4'-P-C4' energy: -15.624
flat angles P-C4'-P energy: -13.253
tors. eta vs tors. theta energy: -3.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -114.386082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.386082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.386082 (E_RNA)
where:
Base-Base interactions energy: -42.561
where: short stacking energy: -39.309
Base-Backbone interact. energy: -0.399
local terms energy: -71.426009
where:
bonds (distance) C4'-P energy: -21.875
bonds (distance) P-C4' energy: -13.895
flat angles C4'-P-C4' energy: -14.635
flat angles P-C4'-P energy: -13.092
tors. eta vs tors. theta energy: -7.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -120.657300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.657300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.657300 (E_RNA)
where:
Base-Base interactions energy: -57.271
where: short stacking energy: -24.649
Base-Backbone interact. energy: -1.242
local terms energy: -62.144250
where:
bonds (distance) C4'-P energy: -19.928
bonds (distance) P-C4' energy: -21.297
flat angles C4'-P-C4' energy: -11.768
flat angles P-C4'-P energy: -12.608
tors. eta vs tors. theta energy: 3.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -327.217496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.217496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.217496 (E_RNA)
where:
Base-Base interactions energy: -222.453
where: short stacking energy: -97.475
Base-Backbone interact. energy: -0.789
local terms energy: -103.975766
where:
bonds (distance) C4'-P energy: -22.293
bonds (distance) P-C4' energy: -17.239
flat angles C4'-P-C4' energy: -19.402
flat angles P-C4'-P energy: -15.223
tors. eta vs tors. theta energy: -29.819
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: 2
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -314.930806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.930806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.930806 (E_RNA)
where:
Base-Base interactions energy: -213.753
where: short stacking energy: -81.148
Base-Backbone interact. energy: -0.174
local terms energy: -101.004124
where:
bonds (distance) C4'-P energy: -13.345
bonds (distance) P-C4' energy: -23.669
flat angles C4'-P-C4' energy: -22.688
flat angles P-C4'-P energy: -14.536
tors. eta vs tors. theta energy: -26.766
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: 7
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -319.685555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.685555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.685555 (E_RNA)
where:
Base-Base interactions energy: -218.166
where: short stacking energy: -91.750
Base-Backbone interact. energy: -0.838
local terms energy: -100.681328
where:
bonds (distance) C4'-P energy: -16.867
bonds (distance) P-C4' energy: -19.353
flat angles C4'-P-C4' energy: -21.004
flat angles P-C4'-P energy: -18.055
tors. eta vs tors. theta energy: -25.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -289.837074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.837074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.837074 (E_RNA)
where:
Base-Base interactions energy: -195.430
where: short stacking energy: -76.620
Base-Backbone interact. energy: 0.135
local terms energy: -94.541438
where:
bonds (distance) C4'-P energy: -20.794
bonds (distance) P-C4' energy: -21.038
flat angles C4'-P-C4' energy: -18.539
flat angles P-C4'-P energy: -10.873
tors. eta vs tors. theta energy: -23.297
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: 5, replica: 6
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -297.810432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.810432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.810432 (E_RNA)
where:
Base-Base interactions energy: -197.484
where: short stacking energy: -78.177
Base-Backbone interact. energy: -0.117
local terms energy: -100.208782
where:
bonds (distance) C4'-P energy: -19.720
bonds (distance) P-C4' energy: -22.574
flat angles C4'-P-C4' energy: -22.040
flat angles P-C4'-P energy: -11.146
tors. eta vs tors. theta energy: -24.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -249.791486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.791486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.791486 (E_RNA)
where:
Base-Base interactions energy: -167.722
where: short stacking energy: -69.864
Base-Backbone interact. energy: -0.013
local terms energy: -82.056590
where:
bonds (distance) C4'-P energy: -20.108
bonds (distance) P-C4' energy: -16.080
flat angles C4'-P-C4' energy: -13.832
flat angles P-C4'-P energy: -9.529
tors. eta vs tors. theta energy: -22.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -206.975487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.975487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.975487 (E_RNA)
where:
Base-Base interactions energy: -124.577
where: short stacking energy: -50.726
Base-Backbone interact. energy: -0.093
local terms energy: -82.305865
where:
bonds (distance) C4'-P energy: -19.966
bonds (distance) P-C4' energy: -15.601
flat angles C4'-P-C4' energy: -20.904
flat angles P-C4'-P energy: -12.722
tors. eta vs tors. theta energy: -13.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -116.689796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.689796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.689796 (E_RNA)
where:
Base-Base interactions energy: -43.493
where: short stacking energy: -41.726
Base-Backbone interact. energy: -0.022
local terms energy: -73.174324
where:
bonds (distance) C4'-P energy: -15.678
bonds (distance) P-C4' energy: -21.939
flat angles C4'-P-C4' energy: -16.484
flat angles P-C4'-P energy: -16.163
tors. eta vs tors. theta energy: -2.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -124.012838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.012838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.012838 (E_RNA)
where:
Base-Base interactions energy: -58.688
where: short stacking energy: -51.324
Base-Backbone interact. energy: 0.146
local terms energy: -65.470550
where:
bonds (distance) C4'-P energy: -18.269
bonds (distance) P-C4' energy: -20.880
flat angles C4'-P-C4' energy: -11.060
flat angles P-C4'-P energy: -9.024
tors. eta vs tors. theta energy: -6.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -117.533245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.533245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.533245 (E_RNA)
where:
Base-Base interactions energy: -58.361
where: short stacking energy: -31.419
Base-Backbone interact. energy: -0.157
local terms energy: -59.015711
where:
bonds (distance) C4'-P energy: -13.167
bonds (distance) P-C4' energy: -19.858
flat angles C4'-P-C4' energy: -16.307
flat angles P-C4'-P energy: -10.489
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: 1, replica: 3
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -322.743090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.743090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.743090 (E_RNA)
where:
Base-Base interactions energy: -211.591
where: short stacking energy: -94.780
Base-Backbone interact. energy: -0.147
local terms energy: -111.004878
where:
bonds (distance) C4'-P energy: -20.895
bonds (distance) P-C4' energy: -23.015
flat angles C4'-P-C4' energy: -21.951
flat angles P-C4'-P energy: -14.970
tors. eta vs tors. theta energy: -30.175
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: 2
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -320.397601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.397601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.397601 (E_RNA)
where:
Base-Base interactions energy: -221.618
where: short stacking energy: -103.974
Base-Backbone interact. energy: 1.089
local terms energy: -99.868261
where:
bonds (distance) C4'-P energy: -17.421
bonds (distance) P-C4' energy: -22.688
flat angles C4'-P-C4' energy: -19.074
flat angles P-C4'-P energy: -14.192
tors. eta vs tors. theta energy: -26.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -328.113565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.113565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.113565 (E_RNA)
where:
Base-Base interactions energy: -225.434
where: short stacking energy: -97.692
Base-Backbone interact. energy: -0.778
local terms energy: -101.902239
where:
bonds (distance) C4'-P energy: -18.966
bonds (distance) P-C4' energy: -21.898
flat angles C4'-P-C4' energy: -22.679
flat angles P-C4'-P energy: -11.246
tors. eta vs tors. theta energy: -27.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -292.789010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.789010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.789010 (E_RNA)
where:
Base-Base interactions energy: -199.827
where: short stacking energy: -92.333
Base-Backbone interact. energy: -0.027
local terms energy: -92.935176
where:
bonds (distance) C4'-P energy: -14.781
bonds (distance) P-C4' energy: -18.793
flat angles C4'-P-C4' energy: -22.464
flat angles P-C4'-P energy: -14.082
tors. eta vs tors. theta energy: -22.816
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: 10
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -275.274870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.274870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.274870 (E_RNA)
where:
Base-Base interactions energy: -179.860
where: short stacking energy: -76.276
Base-Backbone interact. energy: -0.001
local terms energy: -95.414503
where:
bonds (distance) C4'-P energy: -18.378
bonds (distance) P-C4' energy: -17.355
flat angles C4'-P-C4' energy: -20.372
flat angles P-C4'-P energy: -11.058
tors. eta vs tors. theta energy: -28.252
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: 6, replica: 8
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -248.178067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.178067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.178067 (E_RNA)
where:
Base-Base interactions energy: -163.646
where: short stacking energy: -82.051
Base-Backbone interact. energy: -0.178
local terms energy: -84.353487
where:
bonds (distance) C4'-P energy: -17.478
bonds (distance) P-C4' energy: -14.495
flat angles C4'-P-C4' energy: -20.989
flat angles P-C4'-P energy: -12.689
tors. eta vs tors. theta energy: -18.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -202.800323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.800323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.800323 (E_RNA)
where:
Base-Base interactions energy: -123.242
where: short stacking energy: -62.148
Base-Backbone interact. energy: 0.083
local terms energy: -79.641746
where:
bonds (distance) C4'-P energy: -13.642
bonds (distance) P-C4' energy: -23.140
flat angles C4'-P-C4' energy: -22.271
flat angles P-C4'-P energy: -9.921
tors. eta vs tors. theta energy: -10.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -114.161157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.161157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.161157 (E_RNA)
where:
Base-Base interactions energy: -42.781
where: short stacking energy: -41.343
Base-Backbone interact. energy: -0.094
local terms energy: -71.285423
where:
bonds (distance) C4'-P energy: -19.482
bonds (distance) P-C4' energy: -13.115
flat angles C4'-P-C4' energy: -17.373
flat angles P-C4'-P energy: -16.022
tors. eta vs tors. theta energy: -5.293
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: 9
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -108.878292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.878292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.878292 (E_RNA)
where:
Base-Base interactions energy: -44.433
where: short stacking energy: -30.238
Base-Backbone interact. energy: -0.438
local terms energy: -64.007903
where:
bonds (distance) C4'-P energy: -16.527
bonds (distance) P-C4' energy: -19.255
flat angles C4'-P-C4' energy: -15.893
flat angles P-C4'-P energy: -9.715
tors. eta vs tors. theta energy: -2.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -96.903098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.903098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.903098 (E_RNA)
where:
Base-Base interactions energy: -36.730
where: short stacking energy: -30.718
Base-Backbone interact. energy: -1.174
local terms energy: -58.999007
where:
bonds (distance) C4'-P energy: -16.680
bonds (distance) P-C4' energy: -18.666
flat angles C4'-P-C4' energy: -16.628
flat angles P-C4'-P energy: -9.771
tors. eta vs tors. theta energy: 2.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -333.297888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.297888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.297888 (E_RNA)
where:
Base-Base interactions energy: -232.241
where: short stacking energy: -102.820
Base-Backbone interact. energy: -0.275
local terms energy: -100.782166
where:
bonds (distance) C4'-P energy: -13.682
bonds (distance) P-C4' energy: -23.958
flat angles C4'-P-C4' energy: -19.340
flat angles P-C4'-P energy: -12.847
tors. eta vs tors. theta energy: -30.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -319.462402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.462402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.462402 (E_RNA)
where:
Base-Base interactions energy: -217.788
where: short stacking energy: -87.545
Base-Backbone interact. energy: -0.471
local terms energy: -101.203020
where:
bonds (distance) C4'-P energy: -17.778
bonds (distance) P-C4' energy: -22.169
flat angles C4'-P-C4' energy: -21.572
flat angles P-C4'-P energy: -11.309
tors. eta vs tors. theta energy: -28.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -318.271533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.271533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.271533 (E_RNA)
where:
Base-Base interactions energy: -208.795
where: short stacking energy: -88.710
Base-Backbone interact. energy: -0.480
local terms energy: -108.996536
where:
bonds (distance) C4'-P energy: -22.426
bonds (distance) P-C4' energy: -22.215
flat angles C4'-P-C4' energy: -20.664
flat angles P-C4'-P energy: -15.753
tors. eta vs tors. theta energy: -27.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -288.915898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.915898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.915898 (E_RNA)
where:
Base-Base interactions energy: -193.987
where: short stacking energy: -90.247
Base-Backbone interact. energy: 0.615
local terms energy: -95.543847
where:
bonds (distance) C4'-P energy: -19.412
bonds (distance) P-C4' energy: -17.790
flat angles C4'-P-C4' energy: -20.714
flat angles P-C4'-P energy: -11.200
tors. eta vs tors. theta energy: -26.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -250.460427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.460427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.460427 (E_RNA)
where:
Base-Base interactions energy: -166.803
where: short stacking energy: -69.319
Base-Backbone interact. energy: -0.470
local terms energy: -83.186889
where:
bonds (distance) C4'-P energy: -20.351
bonds (distance) P-C4' energy: -11.557
flat angles C4'-P-C4' energy: -18.770
flat angles P-C4'-P energy: -12.271
tors. eta vs tors. theta energy: -20.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -257.119257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.119257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.119257 (E_RNA)
where:
Base-Base interactions energy: -174.175
where: short stacking energy: -76.566
Base-Backbone interact. energy: -0.968
local terms energy: -81.975865
where:
bonds (distance) C4'-P energy: -16.676
bonds (distance) P-C4' energy: -20.903
flat angles C4'-P-C4' energy: -10.901
flat angles P-C4'-P energy: -11.222
tors. eta vs tors. theta energy: -22.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -119.595478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.595478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.595478 (E_RNA)
where:
Base-Base interactions energy: -43.773
where: short stacking energy: -43.773
Base-Backbone interact. energy: -0.158
local terms energy: -75.664175
where:
bonds (distance) C4'-P energy: -11.963
bonds (distance) P-C4' energy: -22.253
flat angles C4'-P-C4' energy: -19.572
flat angles P-C4'-P energy: -11.927
tors. eta vs tors. theta energy: -9.950
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: 408
Temperature: 1.250000
Total energy: -189.945382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.945382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.945382 (E_RNA)
where:
Base-Base interactions energy: -104.916
where: short stacking energy: -54.323
Base-Backbone interact. energy: -0.132
local terms energy: -84.897005
where:
bonds (distance) C4'-P energy: -17.115
bonds (distance) P-C4' energy: -20.818
flat angles C4'-P-C4' energy: -18.809
flat angles P-C4'-P energy: -17.293
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: 9, replica: 5
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -150.661036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.661036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.661036 (E_RNA)
where:
Base-Base interactions energy: -88.620
where: short stacking energy: -51.021
Base-Backbone interact. energy: -1.112
local terms energy: -60.928547
where:
bonds (distance) C4'-P energy: -11.893
bonds (distance) P-C4' energy: -17.634
flat angles C4'-P-C4' energy: -14.232
flat angles P-C4'-P energy: -9.286
tors. eta vs tors. theta energy: -7.883
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: 408
Temperature: 1.350000
Total energy: -94.091116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.091116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.091116 (E_RNA)
where:
Base-Base interactions energy: -49.216
where: short stacking energy: -27.708
Base-Backbone interact. energy: -0.048
local terms energy: -44.827149
where:
bonds (distance) C4'-P energy: -11.699
bonds (distance) P-C4' energy: -18.495
flat angles C4'-P-C4' energy: -12.991
flat angles P-C4'-P energy: -2.557
tors. eta vs tors. theta energy: 0.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -329.112881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.112881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.112881 (E_RNA)
where:
Base-Base interactions energy: -225.675
where: short stacking energy: -106.538
Base-Backbone interact. energy: -0.484
local terms energy: -102.954156
where:
bonds (distance) C4'-P energy: -19.037
bonds (distance) P-C4' energy: -21.298
flat angles C4'-P-C4' energy: -22.545
flat angles P-C4'-P energy: -13.657
tors. eta vs tors. theta energy: -26.418
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: 7
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -320.819875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.819875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.819875 (E_RNA)
where:
Base-Base interactions energy: -222.030
where: short stacking energy: -96.521
Base-Backbone interact. energy: -1.065
local terms energy: -97.725083
where:
bonds (distance) C4'-P energy: -18.592
bonds (distance) P-C4' energy: -19.673
flat angles C4'-P-C4' energy: -22.820
flat angles P-C4'-P energy: -9.582
tors. eta vs tors. theta energy: -27.058
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: 409
Temperature: 1.000000
Total energy: -317.878106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.878106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.878106 (E_RNA)
where:
Base-Base interactions energy: -218.096
where: short stacking energy: -97.471
Base-Backbone interact. energy: -0.102
local terms energy: -99.680448
where:
bonds (distance) C4'-P energy: -20.708
bonds (distance) P-C4' energy: -16.060
flat angles C4'-P-C4' energy: -22.094
flat angles P-C4'-P energy: -15.213
tors. eta vs tors. theta energy: -25.605
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: 6
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -310.714892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.714892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.714892 (E_RNA)
where:
Base-Base interactions energy: -213.711
where: short stacking energy: -87.189
Base-Backbone interact. energy: -1.031
local terms energy: -95.972741
where:
bonds (distance) C4'-P energy: -17.830
bonds (distance) P-C4' energy: -21.201
flat angles C4'-P-C4' energy: -22.084
flat angles P-C4'-P energy: -15.094
tors. eta vs tors. theta energy: -19.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -265.814248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.814248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.814248 (E_RNA)
where:
Base-Base interactions energy: -185.566
where: short stacking energy: -74.995
Base-Backbone interact. energy: 0.071
local terms energy: -80.319299
where:
bonds (distance) C4'-P energy: -14.023
bonds (distance) P-C4' energy: -16.522
flat angles C4'-P-C4' energy: -21.756
flat angles P-C4'-P energy: -11.860
tors. eta vs tors. theta energy: -16.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -269.389252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.389252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.389252 (E_RNA)
where:
Base-Base interactions energy: -183.999
where: short stacking energy: -77.776
Base-Backbone interact. energy: -0.188
local terms energy: -85.202262
where:
bonds (distance) C4'-P energy: -15.276
bonds (distance) P-C4' energy: -22.305
flat angles C4'-P-C4' energy: -18.652
flat angles P-C4'-P energy: -12.729
tors. eta vs tors. theta energy: -16.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -106.103137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.103137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.103137 (E_RNA)
where:
Base-Base interactions energy: -38.914
where: short stacking energy: -38.349
Base-Backbone interact. energy: -0.197
local terms energy: -66.992646
where:
bonds (distance) C4'-P energy: -14.287
bonds (distance) P-C4' energy: -17.804
flat angles C4'-P-C4' energy: -18.911
flat angles P-C4'-P energy: -9.045
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: 8, replica: 4
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -159.954256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.954256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.954256 (E_RNA)
where:
Base-Base interactions energy: -90.330
where: short stacking energy: -52.273
Base-Backbone interact. energy: 0.047
local terms energy: -69.670850
where:
bonds (distance) C4'-P energy: -14.006
bonds (distance) P-C4' energy: -20.692
flat angles C4'-P-C4' energy: -18.265
flat angles P-C4'-P energy: -12.200
tors. eta vs tors. theta energy: -4.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -99.326682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.326682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.326682 (E_RNA)
where:
Base-Base interactions energy: -31.677
where: short stacking energy: -26.903
Base-Backbone interact. energy: -0.100
local terms energy: -67.549935
where:
bonds (distance) C4'-P energy: -17.573
bonds (distance) P-C4' energy: -20.252
flat angles C4'-P-C4' energy: -14.586
flat angles P-C4'-P energy: -13.845
tors. eta vs tors. theta energy: -1.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -99.835716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.835716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.835716 (E_RNA)
where:
Base-Base interactions energy: -30.746
where: short stacking energy: -33.146
Base-Backbone interact. energy: -0.168
local terms energy: -68.922294
where:
bonds (distance) C4'-P energy: -14.734
bonds (distance) P-C4' energy: -19.129
flat angles C4'-P-C4' energy: -16.559
flat angles P-C4'-P energy: -15.427
tors. eta vs tors. theta energy: -3.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -328.432685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.432685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.432685 (E_RNA)
where:
Base-Base interactions energy: -224.669
where: short stacking energy: -94.868
Base-Backbone interact. energy: -0.122
local terms energy: -103.641493
where:
bonds (distance) C4'-P energy: -19.968
bonds (distance) P-C4' energy: -21.767
flat angles C4'-P-C4' energy: -21.921
flat angles P-C4'-P energy: -18.372
tors. eta vs tors. theta energy: -21.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -322.818734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.818734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.818734 (E_RNA)
where:
Base-Base interactions energy: -220.835
where: short stacking energy: -98.787
Base-Backbone interact. energy: -0.181
local terms energy: -101.802322
where:
bonds (distance) C4'-P energy: -20.567
bonds (distance) P-C4' energy: -16.470
flat angles C4'-P-C4' energy: -20.839
flat angles P-C4'-P energy: -16.379
tors. eta vs tors. theta energy: -27.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -317.446221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.446221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.446221 (E_RNA)
where:
Base-Base interactions energy: -219.669
where: short stacking energy: -92.691
Base-Backbone interact. energy: -0.418
local terms energy: -97.358685
where:
bonds (distance) C4'-P energy: -22.013
bonds (distance) P-C4' energy: -20.794
flat angles C4'-P-C4' energy: -19.827
flat angles P-C4'-P energy: -13.413
tors. eta vs tors. theta energy: -21.312
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: 6
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -306.187893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.187893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.187893 (E_RNA)
where:
Base-Base interactions energy: -211.683
where: short stacking energy: -83.800
Base-Backbone interact. energy: -0.119
local terms energy: -94.385602
where:
bonds (distance) C4'-P energy: -14.810
bonds (distance) P-C4' energy: -21.841
flat angles C4'-P-C4' energy: -20.928
flat angles P-C4'-P energy: -11.873
tors. eta vs tors. theta energy: -24.934
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: 10
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -272.878982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.878982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.878982 (E_RNA)
where:
Base-Base interactions energy: -185.416
where: short stacking energy: -75.703
Base-Backbone interact. energy: 0.637
local terms energy: -88.100698
where:
bonds (distance) C4'-P energy: -19.937
bonds (distance) P-C4' energy: -20.166
flat angles C4'-P-C4' energy: -21.916
flat angles P-C4'-P energy: -8.335
tors. eta vs tors. theta energy: -17.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -270.184466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.184466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.184466 (E_RNA)
where:
Base-Base interactions energy: -181.273
where: short stacking energy: -76.317
Base-Backbone interact. energy: -0.118
local terms energy: -88.792897
where:
bonds (distance) C4'-P energy: -19.798
bonds (distance) P-C4' energy: -21.168
flat angles C4'-P-C4' energy: -21.063
flat angles P-C4'-P energy: -10.364
tors. eta vs tors. theta energy: -16.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -184.809698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.809698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.809698 (E_RNA)
where:
Base-Base interactions energy: -103.254
where: short stacking energy: -52.163
Base-Backbone interact. energy: -0.013
local terms energy: -81.542989
where:
bonds (distance) C4'-P energy: -21.472
bonds (distance) P-C4' energy: -21.253
flat angles C4'-P-C4' energy: -12.205
flat angles P-C4'-P energy: -13.559
tors. eta vs tors. theta energy: -13.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -127.670873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.670873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.670873 (E_RNA)
where:
Base-Base interactions energy: -60.896
where: short stacking energy: -44.058
Base-Backbone interact. energy: -0.007
local terms energy: -66.767543
where:
bonds (distance) C4'-P energy: -17.061
bonds (distance) P-C4' energy: -15.795
flat angles C4'-P-C4' energy: -16.824
flat angles P-C4'-P energy: -6.417
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: 9, replica: 9
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -104.497823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.497823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.497823 (E_RNA)
where:
Base-Base interactions energy: -42.467
where: short stacking energy: -38.936
Base-Backbone interact. energy: 0.104
local terms energy: -62.135260
where:
bonds (distance) C4'-P energy: -17.483
bonds (distance) P-C4' energy: -14.883
flat angles C4'-P-C4' energy: -16.951
flat angles P-C4'-P energy: -7.488
tors. eta vs tors. theta energy: -5.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -105.138176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.138176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.138176 (E_RNA)
where:
Base-Base interactions energy: -48.863
where: short stacking energy: -39.186
Base-Backbone interact. energy: 0.146
local terms energy: -56.420999
where:
bonds (distance) C4'-P energy: -16.306
bonds (distance) P-C4' energy: -20.763
flat angles C4'-P-C4' energy: -15.327
flat angles P-C4'-P energy: 0.099
tors. eta vs tors. theta energy: -4.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -329.068729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.068729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.068729 (E_RNA)
where:
Base-Base interactions energy: -224.815
where: short stacking energy: -99.360
Base-Backbone interact. energy: -0.238
local terms energy: -104.015873
where:
bonds (distance) C4'-P energy: -19.338
bonds (distance) P-C4' energy: -21.729
flat angles C4'-P-C4' energy: -20.444
flat angles P-C4'-P energy: -13.832
tors. eta vs tors. theta energy: -28.674
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: 2
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -324.307779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.307779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.307779 (E_RNA)
where:
Base-Base interactions energy: -218.797
where: short stacking energy: -90.263
Base-Backbone interact. energy: -0.202
local terms energy: -105.308608
where:
bonds (distance) C4'-P energy: -20.766
bonds (distance) P-C4' energy: -19.591
flat angles C4'-P-C4' energy: -22.478
flat angles P-C4'-P energy: -15.100
tors. eta vs tors. theta energy: -27.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -307.211812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.211812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.211812 (E_RNA)
where:
Base-Base interactions energy: -209.464
where: short stacking energy: -96.845
Base-Backbone interact. energy: -0.092
local terms energy: -97.656024
where:
bonds (distance) C4'-P energy: -15.235
bonds (distance) P-C4' energy: -19.745
flat angles C4'-P-C4' energy: -20.315
flat angles P-C4'-P energy: -13.491
tors. eta vs tors. theta energy: -28.870
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: 411
Temperature: 1.050000
Total energy: -289.011456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.011456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.011456 (E_RNA)
where:
Base-Base interactions energy: -200.236
where: short stacking energy: -78.836
Base-Backbone interact. energy: -0.654
local terms energy: -88.120976
where:
bonds (distance) C4'-P energy: -15.329
bonds (distance) P-C4' energy: -18.423
flat angles C4'-P-C4' energy: -20.729
flat angles P-C4'-P energy: -14.107
tors. eta vs tors. theta energy: -19.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -299.106998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.106998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.106998 (E_RNA)
where:
Base-Base interactions energy: -207.577
where: short stacking energy: -79.240
Base-Backbone interact. energy: 0.585
local terms energy: -92.114798
where:
bonds (distance) C4'-P energy: -11.974
bonds (distance) P-C4' energy: -22.527
flat angles C4'-P-C4' energy: -18.539
flat angles P-C4'-P energy: -14.658
tors. eta vs tors. theta energy: -24.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -276.381898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.381898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.381898 (E_RNA)
where:
Base-Base interactions energy: -177.989
where: short stacking energy: -70.286
Base-Backbone interact. energy: -0.085
local terms energy: -98.308151
where:
bonds (distance) C4'-P energy: -19.202
bonds (distance) P-C4' energy: -22.378
flat angles C4'-P-C4' energy: -21.332
flat angles P-C4'-P energy: -16.154
tors. eta vs tors. theta energy: -19.243
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: 4
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -183.578431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.578431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.578431 (E_RNA)
where:
Base-Base interactions energy: -103.261
where: short stacking energy: -59.768
Base-Backbone interact. energy: -0.135
local terms energy: -80.181776
where:
bonds (distance) C4'-P energy: -14.749
bonds (distance) P-C4' energy: -18.949
flat angles C4'-P-C4' energy: -21.592
flat angles P-C4'-P energy: -11.243
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: 8, replica: 1
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -110.673381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.673381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.673381 (E_RNA)
where:
Base-Base interactions energy: -33.088
where: short stacking energy: -21.574
Base-Backbone interact. energy: -0.478
local terms energy: -77.107218
where:
bonds (distance) C4'-P energy: -19.570
bonds (distance) P-C4' energy: -24.318
flat angles C4'-P-C4' energy: -17.383
flat angles P-C4'-P energy: -9.991
tors. eta vs tors. theta energy: -5.845
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: 9, replica: 9
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -112.745538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.745538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.745538 (E_RNA)
where:
Base-Base interactions energy: -34.912
where: short stacking energy: -34.275
Base-Backbone interact. energy: -0.082
local terms energy: -77.751479
where:
bonds (distance) C4'-P energy: -18.990
bonds (distance) P-C4' energy: -24.181
flat angles C4'-P-C4' energy: -21.222
flat angles P-C4'-P energy: -8.028
tors. eta vs tors. theta energy: -5.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -103.578811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.578811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.578811 (E_RNA)
where:
Base-Base interactions energy: -44.570
where: short stacking energy: -26.493
Base-Backbone interact. energy: 1.259
local terms energy: -60.267562
where:
bonds (distance) C4'-P energy: -15.394
bonds (distance) P-C4' energy: -16.254
flat angles C4'-P-C4' energy: -11.963
flat angles P-C4'-P energy: -13.972
tors. eta vs tors. theta energy: -2.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -334.975112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.975112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.975112 (E_RNA)
where:
Base-Base interactions energy: -229.140
where: short stacking energy: -101.890
Base-Backbone interact. energy: 0.590
local terms energy: -106.425446
where:
bonds (distance) C4'-P energy: -17.880
bonds (distance) P-C4' energy: -21.263
flat angles C4'-P-C4' energy: -24.302
flat angles P-C4'-P energy: -14.627
tors. eta vs tors. theta energy: -28.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -324.749419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.749419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.749419 (E_RNA)
where:
Base-Base interactions energy: -220.171
where: short stacking energy: -100.503
Base-Backbone interact. energy: -0.385
local terms energy: -104.193371
where:
bonds (distance) C4'-P energy: -19.409
bonds (distance) P-C4' energy: -20.207
flat angles C4'-P-C4' energy: -23.767
flat angles P-C4'-P energy: -13.263
tors. eta vs tors. theta energy: -27.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -311.955608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.955608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.955608 (E_RNA)
where:
Base-Base interactions energy: -220.643
where: short stacking energy: -89.401
Base-Backbone interact. energy: 0.365
local terms energy: -91.676859
where:
bonds (distance) C4'-P energy: -11.790
bonds (distance) P-C4' energy: -20.626
flat angles C4'-P-C4' energy: -21.096
flat angles P-C4'-P energy: -12.674
tors. eta vs tors. theta energy: -25.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -282.381380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.381380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.381380 (E_RNA)
where:
Base-Base interactions energy: -200.770
where: short stacking energy: -74.309
Base-Backbone interact. energy: 0.095
local terms energy: -81.706592
where:
bonds (distance) C4'-P energy: -19.901
bonds (distance) P-C4' energy: -21.132
flat angles C4'-P-C4' energy: -16.428
flat angles P-C4'-P energy: -1.976
tors. eta vs tors. theta energy: -22.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -302.830972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.830972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.830972 (E_RNA)
where:
Base-Base interactions energy: -210.402
where: short stacking energy: -85.443
Base-Backbone interact. energy: -0.206
local terms energy: -92.223434
where:
bonds (distance) C4'-P energy: -13.229
bonds (distance) P-C4' energy: -22.537
flat angles C4'-P-C4' energy: -19.191
flat angles P-C4'-P energy: -14.630
tors. eta vs tors. theta energy: -22.637
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: 412
Temperature: 1.150000
Total energy: -230.753522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.753522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.753522 (E_RNA)
where:
Base-Base interactions energy: -152.351
where: short stacking energy: -73.207
Base-Backbone interact. energy: -0.701
local terms energy: -77.701580
where:
bonds (distance) C4'-P energy: -16.047
bonds (distance) P-C4' energy: -15.091
flat angles C4'-P-C4' energy: -16.351
flat angles P-C4'-P energy: -11.615
tors. eta vs tors. theta energy: -18.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -135.896950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.896950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.896950 (E_RNA)
where:
Base-Base interactions energy: -58.658
where: short stacking energy: -43.831
Base-Backbone interact. energy: -0.338
local terms energy: -76.901049
where:
bonds (distance) C4'-P energy: -20.241
bonds (distance) P-C4' energy: -18.899
flat angles C4'-P-C4' energy: -17.598
flat angles P-C4'-P energy: -10.385
tors. eta vs tors. theta energy: -9.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -168.061768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.061768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.061768 (E_RNA)
where:
Base-Base interactions energy: -94.957
where: short stacking energy: -49.710
Base-Backbone interact. energy: -0.143
local terms energy: -72.961805
where:
bonds (distance) C4'-P energy: -17.009
bonds (distance) P-C4' energy: -18.150
flat angles C4'-P-C4' energy: -18.841
flat angles P-C4'-P energy: -8.311
tors. eta vs tors. theta energy: -10.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -115.061750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.061750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.061750 (E_RNA)
where:
Base-Base interactions energy: -49.708
where: short stacking energy: -24.076
Base-Backbone interact. energy: -0.821
local terms energy: -64.533397
where:
bonds (distance) C4'-P energy: -15.950
bonds (distance) P-C4' energy: -20.720
flat angles C4'-P-C4' energy: -14.951
flat angles P-C4'-P energy: -14.390
tors. eta vs tors. theta energy: 1.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -95.151929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.151929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.151929 (E_RNA)
where:
Base-Base interactions energy: -34.868
where: short stacking energy: -29.096
Base-Backbone interact. energy: -0.005
local terms energy: -60.278592
where:
bonds (distance) C4'-P energy: -23.905
bonds (distance) P-C4' energy: -10.878
flat angles C4'-P-C4' energy: -17.480
flat angles P-C4'-P energy: -1.214
tors. eta vs tors. theta energy: -6.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -333.017219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.017219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.017219 (E_RNA)
where:
Base-Base interactions energy: -223.777
where: short stacking energy: -97.167
Base-Backbone interact. energy: -1.219
local terms energy: -108.021141
where:
bonds (distance) C4'-P energy: -21.950
bonds (distance) P-C4' energy: -16.561
flat angles C4'-P-C4' energy: -24.465
flat angles P-C4'-P energy: -15.800
tors. eta vs tors. theta energy: -29.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -322.522436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.522436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.522436 (E_RNA)
where:
Base-Base interactions energy: -222.904
where: short stacking energy: -96.200
Base-Backbone interact. energy: -0.110
local terms energy: -99.509177
where:
bonds (distance) C4'-P energy: -21.063
bonds (distance) P-C4' energy: -18.755
flat angles C4'-P-C4' energy: -17.242
flat angles P-C4'-P energy: -12.737
tors. eta vs tors. theta energy: -29.712
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: 3
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -321.451433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.451433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.451433 (E_RNA)
where:
Base-Base interactions energy: -224.750
where: short stacking energy: -94.122
Base-Backbone interact. energy: -0.105
local terms energy: -96.596344
where:
bonds (distance) C4'-P energy: -19.827
bonds (distance) P-C4' energy: -20.759
flat angles C4'-P-C4' energy: -19.415
flat angles P-C4'-P energy: -14.101
tors. eta vs tors. theta energy: -22.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -297.111448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.111448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.111448 (E_RNA)
where:
Base-Base interactions energy: -201.289
where: short stacking energy: -88.857
Base-Backbone interact. energy: 0.052
local terms energy: -95.875003
where:
bonds (distance) C4'-P energy: -14.266
bonds (distance) P-C4' energy: -22.412
flat angles C4'-P-C4' energy: -20.231
flat angles P-C4'-P energy: -12.273
tors. eta vs tors. theta energy: -26.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -259.992512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.992512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.992512 (E_RNA)
where:
Base-Base interactions energy: -168.602
where: short stacking energy: -64.972
Base-Backbone interact. energy: -0.987
local terms energy: -90.403536
where:
bonds (distance) C4'-P energy: -21.109
bonds (distance) P-C4' energy: -16.296
flat angles C4'-P-C4' energy: -19.887
flat angles P-C4'-P energy: -12.123
tors. eta vs tors. theta energy: -20.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -234.579387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.579387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.579387 (E_RNA)
where:
Base-Base interactions energy: -148.311
where: short stacking energy: -76.377
Base-Backbone interact. energy: -0.688
local terms energy: -85.581051
where:
bonds (distance) C4'-P energy: -16.596
bonds (distance) P-C4' energy: -19.397
flat angles C4'-P-C4' energy: -23.515
flat angles P-C4'-P energy: -8.890
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: 7, replica: 1
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -135.548736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.548736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.548736 (E_RNA)
where:
Base-Base interactions energy: -55.172
where: short stacking energy: -49.632
Base-Backbone interact. energy: 0.311
local terms energy: -80.688181
where:
bonds (distance) C4'-P energy: -18.258
bonds (distance) P-C4' energy: -19.594
flat angles C4'-P-C4' energy: -20.406
flat angles P-C4'-P energy: -9.667
tors. eta vs tors. theta energy: -12.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -116.458013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.458013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.458013 (E_RNA)
where:
Base-Base interactions energy: -48.861
where: short stacking energy: -37.206
Base-Backbone interact. energy: -0.892
local terms energy: -66.704780
where:
bonds (distance) C4'-P energy: -14.365
bonds (distance) P-C4' energy: -15.378
flat angles C4'-P-C4' energy: -16.162
flat angles P-C4'-P energy: -9.731
tors. eta vs tors. theta energy: -11.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -168.448354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.448354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.448354 (E_RNA)
where:
Base-Base interactions energy: -103.312
where: short stacking energy: -39.787
Base-Backbone interact. energy: -0.193
local terms energy: -64.943802
where:
bonds (distance) C4'-P energy: -12.610
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -16.058
flat angles P-C4'-P energy: -10.504
tors. eta vs tors. theta energy: -10.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -102.065488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.065488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.065488 (E_RNA)
where:
Base-Base interactions energy: -46.747
where: short stacking energy: -40.217
Base-Backbone interact. energy: -0.671
local terms energy: -54.647214
where:
bonds (distance) C4'-P energy: -13.322
bonds (distance) P-C4' energy: -16.185
flat angles C4'-P-C4' energy: -12.496
flat angles P-C4'-P energy: -10.580
tors. eta vs tors. theta energy: -2.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -316.948215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.948215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.948215 (E_RNA)
where:
Base-Base interactions energy: -216.849
where: short stacking energy: -86.200
Base-Backbone interact. energy: 1.276
local terms energy: -101.375010
where:
bonds (distance) C4'-P energy: -22.380
bonds (distance) P-C4' energy: -22.289
flat angles C4'-P-C4' energy: -20.870
flat angles P-C4'-P energy: -13.672
tors. eta vs tors. theta energy: -22.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -318.157447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.157447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.157447 (E_RNA)
where:
Base-Base interactions energy: -212.632
where: short stacking energy: -99.076
Base-Backbone interact. energy: 0.237
local terms energy: -105.761958
where:
bonds (distance) C4'-P energy: -18.310
bonds (distance) P-C4' energy: -22.883
flat angles C4'-P-C4' energy: -22.718
flat angles P-C4'-P energy: -12.403
tors. eta vs tors. theta energy: -29.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -299.824495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.824495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.824495 (E_RNA)
where:
Base-Base interactions energy: -198.767
where: short stacking energy: -87.042
Base-Backbone interact. energy: -0.268
local terms energy: -100.788966
where:
bonds (distance) C4'-P energy: -18.597
bonds (distance) P-C4' energy: -21.003
flat angles C4'-P-C4' energy: -20.855
flat angles P-C4'-P energy: -14.728
tors. eta vs tors. theta energy: -25.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -312.479755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.479755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.479755 (E_RNA)
where:
Base-Base interactions energy: -214.129
where: short stacking energy: -86.824
Base-Backbone interact. energy: -0.120
local terms energy: -98.230609
where:
bonds (distance) C4'-P energy: -19.487
bonds (distance) P-C4' energy: -20.034
flat angles C4'-P-C4' energy: -16.184
flat angles P-C4'-P energy: -18.438
tors. eta vs tors. theta energy: -24.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -273.302933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.302933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.302933 (E_RNA)
where:
Base-Base interactions energy: -186.340
where: short stacking energy: -83.361
Base-Backbone interact. energy: -0.086
local terms energy: -86.876687
where:
bonds (distance) C4'-P energy: -17.548
bonds (distance) P-C4' energy: -19.518
flat angles C4'-P-C4' energy: -23.017
flat angles P-C4'-P energy: -8.453
tors. eta vs tors. theta energy: -18.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -248.048299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.048299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.048299 (E_RNA)
where:
Base-Base interactions energy: -157.476
where: short stacking energy: -65.218
Base-Backbone interact. energy: -0.317
local terms energy: -90.254724
where:
bonds (distance) C4'-P energy: -21.375
bonds (distance) P-C4' energy: -15.846
flat angles C4'-P-C4' energy: -18.887
flat angles P-C4'-P energy: -14.192
tors. eta vs tors. theta energy: -19.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -141.757280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.757280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.757280 (E_RNA)
where:
Base-Base interactions energy: -69.674
where: short stacking energy: -38.300
Base-Backbone interact. energy: -0.224
local terms energy: -71.859088
where:
bonds (distance) C4'-P energy: -19.529
bonds (distance) P-C4' energy: -17.450
flat angles C4'-P-C4' energy: -22.145
flat angles P-C4'-P energy: -10.592
tors. eta vs tors. theta energy: -2.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -107.382950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.382950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.382950 (E_RNA)
where:
Base-Base interactions energy: -43.695
where: short stacking energy: -27.554
Base-Backbone interact. energy: -0.293
local terms energy: -63.394444
where:
bonds (distance) C4'-P energy: -9.394
bonds (distance) P-C4' energy: -21.662
flat angles C4'-P-C4' energy: -19.266
flat angles P-C4'-P energy: -14.190
tors. eta vs tors. theta energy: 1.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -174.234064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.234064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.234064 (E_RNA)
where:
Base-Base interactions energy: -102.885
where: short stacking energy: -46.978
Base-Backbone interact. energy: -0.232
local terms energy: -71.116354
where:
bonds (distance) C4'-P energy: -17.356
bonds (distance) P-C4' energy: -12.989
flat angles C4'-P-C4' energy: -11.640
flat angles P-C4'-P energy: -13.365
tors. eta vs tors. theta energy: -15.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -105.289422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.289422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.289422 (E_RNA)
where:
Base-Base interactions energy: -46.365
where: short stacking energy: -29.822
Base-Backbone interact. energy: -0.133
local terms energy: -58.791175
where:
bonds (distance) C4'-P energy: -15.205
bonds (distance) P-C4' energy: -17.198
flat angles C4'-P-C4' energy: -12.683
flat angles P-C4'-P energy: -8.798
tors. eta vs tors. theta energy: -4.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -330.103589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.103589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.103589 (E_RNA)
where:
Base-Base interactions energy: -224.155
where: short stacking energy: -102.355
Base-Backbone interact. energy: -0.115
local terms energy: -105.833343
where:
bonds (distance) C4'-P energy: -20.588
bonds (distance) P-C4' energy: -22.286
flat angles C4'-P-C4' energy: -18.138
flat angles P-C4'-P energy: -15.917
tors. eta vs tors. theta energy: -28.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -320.107653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.107653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.107653 (E_RNA)
where:
Base-Base interactions energy: -215.591
where: short stacking energy: -92.607
Base-Backbone interact. energy: -0.450
local terms energy: -104.065859
where:
bonds (distance) C4'-P energy: -18.171
bonds (distance) P-C4' energy: -20.791
flat angles C4'-P-C4' energy: -22.225
flat angles P-C4'-P energy: -12.999
tors. eta vs tors. theta energy: -29.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -293.100701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.100701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.100701 (E_RNA)
where:
Base-Base interactions energy: -188.920
where: short stacking energy: -83.154
Base-Backbone interact. energy: -0.083
local terms energy: -104.098463
where:
bonds (distance) C4'-P energy: -20.488
bonds (distance) P-C4' energy: -20.725
flat angles C4'-P-C4' energy: -24.209
flat angles P-C4'-P energy: -12.947
tors. eta vs tors. theta energy: -25.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -291.632865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.632865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.632865 (E_RNA)
where:
Base-Base interactions energy: -199.896
where: short stacking energy: -78.635
Base-Backbone interact. energy: -0.295
local terms energy: -91.442676
where:
bonds (distance) C4'-P energy: -23.854
bonds (distance) P-C4' energy: -19.295
flat angles C4'-P-C4' energy: -11.525
flat angles P-C4'-P energy: -13.319
tors. eta vs tors. theta energy: -23.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -300.127523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.127523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.127523 (E_RNA)
where:
Base-Base interactions energy: -202.400
where: short stacking energy: -84.909
Base-Backbone interact. energy: -0.751
local terms energy: -96.976405
where:
bonds (distance) C4'-P energy: -17.847
bonds (distance) P-C4' energy: -17.184
flat angles C4'-P-C4' energy: -18.673
flat angles P-C4'-P energy: -20.597
tors. eta vs tors. theta energy: -22.675
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: 8
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -247.958473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.958473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.958473 (E_RNA)
where:
Base-Base interactions energy: -161.435
where: short stacking energy: -72.244
Base-Backbone interact. energy: -0.062
local terms energy: -86.460915
where:
bonds (distance) C4'-P energy: -17.577
bonds (distance) P-C4' energy: -20.488
flat angles C4'-P-C4' energy: -17.320
flat angles P-C4'-P energy: -11.590
tors. eta vs tors. theta energy: -19.485
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: 1
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -131.075468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.075468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.075468 (E_RNA)
where:
Base-Base interactions energy: -69.972
where: short stacking energy: -32.872
Base-Backbone interact. energy: -0.171
local terms energy: -60.931841
where:
bonds (distance) C4'-P energy: -19.047
bonds (distance) P-C4' energy: -17.552
flat angles C4'-P-C4' energy: -13.572
flat angles P-C4'-P energy: -6.042
tors. eta vs tors. theta energy: -4.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -160.878186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.878186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.878186 (E_RNA)
where:
Base-Base interactions energy: -93.338
where: short stacking energy: -47.103
Base-Backbone interact. energy: -0.065
local terms energy: -67.474798
where:
bonds (distance) C4'-P energy: -14.930
bonds (distance) P-C4' energy: -20.670
flat angles C4'-P-C4' energy: -23.266
flat angles P-C4'-P energy: -5.831
tors. eta vs tors. theta energy: -2.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -114.912681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.912681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.912681 (E_RNA)
where:
Base-Base interactions energy: -35.301
where: short stacking energy: -24.551
Base-Backbone interact. energy: -0.850
local terms energy: -78.761255
where:
bonds (distance) C4'-P energy: -23.035
bonds (distance) P-C4' energy: -17.070
flat angles C4'-P-C4' energy: -21.976
flat angles P-C4'-P energy: -8.522
tors. eta vs tors. theta energy: -8.158
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: 9
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -113.217876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.217876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.217876 (E_RNA)
where:
Base-Base interactions energy: -33.440
where: short stacking energy: -27.828
Base-Backbone interact. energy: -0.188
local terms energy: -79.589771
where:
bonds (distance) C4'-P energy: -21.304
bonds (distance) P-C4' energy: -20.992
flat angles C4'-P-C4' energy: -21.026
flat angles P-C4'-P energy: -14.656
tors. eta vs tors. theta energy: -1.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -333.669548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.669548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.669548 (E_RNA)
where:
Base-Base interactions energy: -232.504
where: short stacking energy: -104.829
Base-Backbone interact. energy: 0.160
local terms energy: -101.325681
where:
bonds (distance) C4'-P energy: -17.576
bonds (distance) P-C4' energy: -21.339
flat angles C4'-P-C4' energy: -21.896
flat angles P-C4'-P energy: -11.456
tors. eta vs tors. theta energy: -29.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -330.120886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.120886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.120886 (E_RNA)
where:
Base-Base interactions energy: -221.298
where: short stacking energy: -95.093
Base-Backbone interact. energy: -0.510
local terms energy: -108.312176
where:
bonds (distance) C4'-P energy: -20.430
bonds (distance) P-C4' energy: -23.834
flat angles C4'-P-C4' energy: -19.707
flat angles P-C4'-P energy: -14.518
tors. eta vs tors. theta energy: -29.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -293.909176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.909176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.909176 (E_RNA)
where:
Base-Base interactions energy: -211.276
where: short stacking energy: -83.116
Base-Backbone interact. energy: -0.191
local terms energy: -82.441649
where:
bonds (distance) C4'-P energy: -15.413
bonds (distance) P-C4' energy: -18.188
flat angles C4'-P-C4' energy: -20.528
flat angles P-C4'-P energy: -6.857
tors. eta vs tors. theta energy: -21.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -301.696617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.696617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.696617 (E_RNA)
where:
Base-Base interactions energy: -204.110
where: short stacking energy: -85.069
Base-Backbone interact. energy: 0.724
local terms energy: -98.311032
where:
bonds (distance) C4'-P energy: -19.805
bonds (distance) P-C4' energy: -18.929
flat angles C4'-P-C4' energy: -19.116
flat angles P-C4'-P energy: -15.553
tors. eta vs tors. theta energy: -24.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -267.674492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.674492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.674492 (E_RNA)
where:
Base-Base interactions energy: -173.733
where: short stacking energy: -78.166
Base-Backbone interact. energy: -0.878
local terms energy: -93.063790
where:
bonds (distance) C4'-P energy: -22.715
bonds (distance) P-C4' energy: -18.453
flat angles C4'-P-C4' energy: -18.684
flat angles P-C4'-P energy: -13.733
tors. eta vs tors. theta energy: -19.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -306.409012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.409012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.409012 (E_RNA)
where:
Base-Base interactions energy: -216.852
where: short stacking energy: -92.329
Base-Backbone interact. energy: 1.051
local terms energy: -90.607323
where:
bonds (distance) C4'-P energy: -18.596
bonds (distance) P-C4' energy: -18.494
flat angles C4'-P-C4' energy: -19.197
flat angles P-C4'-P energy: -12.738
tors. eta vs tors. theta energy: -21.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -144.001379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.001379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.001379 (E_RNA)
where:
Base-Base interactions energy: -66.281
where: short stacking energy: -46.750
Base-Backbone interact. energy: -0.625
local terms energy: -77.094979
where:
bonds (distance) C4'-P energy: -21.885
bonds (distance) P-C4' energy: -19.595
flat angles C4'-P-C4' energy: -17.216
flat angles P-C4'-P energy: -14.849
tors. eta vs tors. theta energy: -3.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -107.957925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.957925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.957925 (E_RNA)
where:
Base-Base interactions energy: -35.140
where: short stacking energy: -35.140
Base-Backbone interact. energy: 0.539
local terms energy: -73.356692
where:
bonds (distance) C4'-P energy: -15.943
bonds (distance) P-C4' energy: -22.641
flat angles C4'-P-C4' energy: -17.507
flat angles P-C4'-P energy: -11.553
tors. eta vs tors. theta energy: -5.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -120.210966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.210966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.210966 (E_RNA)
where:
Base-Base interactions energy: -47.586
where: short stacking energy: -45.638
Base-Backbone interact. energy: -1.257
local terms energy: -71.368071
where:
bonds (distance) C4'-P energy: -13.993
bonds (distance) P-C4' energy: -18.214
flat angles C4'-P-C4' energy: -20.975
flat angles P-C4'-P energy: -4.847
tors. eta vs tors. theta energy: -13.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -116.925848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.925848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.925848 (E_RNA)
where:
Base-Base interactions energy: -49.125
where: short stacking energy: -35.543
Base-Backbone interact. energy: 1.876
local terms energy: -69.676620
where:
bonds (distance) C4'-P energy: -20.248
bonds (distance) P-C4' energy: -17.680
flat angles C4'-P-C4' energy: -12.852
flat angles P-C4'-P energy: -15.964
tors. eta vs tors. theta energy: -2.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -330.535123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.535123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.535123 (E_RNA)
where:
Base-Base interactions energy: -224.118
where: short stacking energy: -97.822
Base-Backbone interact. energy: -0.514
local terms energy: -105.903162
where:
bonds (distance) C4'-P energy: -22.828
bonds (distance) P-C4' energy: -18.365
flat angles C4'-P-C4' energy: -23.148
flat angles P-C4'-P energy: -17.315
tors. eta vs tors. theta energy: -24.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -331.875285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.875285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.875285 (E_RNA)
where:
Base-Base interactions energy: -227.146
where: short stacking energy: -97.004
Base-Backbone interact. energy: -0.296
local terms energy: -104.434074
where:
bonds (distance) C4'-P energy: -17.688
bonds (distance) P-C4' energy: -21.490
flat angles C4'-P-C4' energy: -23.514
flat angles P-C4'-P energy: -13.346
tors. eta vs tors. theta energy: -28.398
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: 10
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -292.781711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.781711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.781711 (E_RNA)
where:
Base-Base interactions energy: -197.538
where: short stacking energy: -77.984
Base-Backbone interact. energy: -0.208
local terms energy: -95.035914
where:
bonds (distance) C4'-P energy: -17.503
bonds (distance) P-C4' energy: -16.587
flat angles C4'-P-C4' energy: -20.463
flat angles P-C4'-P energy: -14.372
tors. eta vs tors. theta energy: -26.111
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: 8
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -274.528337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.528337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.528337 (E_RNA)
where:
Base-Base interactions energy: -186.875
where: short stacking energy: -74.835
Base-Backbone interact. energy: -0.267
local terms energy: -87.386465
where:
bonds (distance) C4'-P energy: -20.588
bonds (distance) P-C4' energy: -21.796
flat angles C4'-P-C4' energy: -19.425
flat angles P-C4'-P energy: -7.190
tors. eta vs tors. theta energy: -18.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -291.464027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.464027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.464027 (E_RNA)
where:
Base-Base interactions energy: -195.703
where: short stacking energy: -86.395
Base-Backbone interact. energy: 0.082
local terms energy: -95.843231
where:
bonds (distance) C4'-P energy: -15.205
bonds (distance) P-C4' energy: -21.132
flat angles C4'-P-C4' energy: -21.683
flat angles P-C4'-P energy: -11.431
tors. eta vs tors. theta energy: -26.393
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: 3
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -306.622904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.622904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.622904 (E_RNA)
where:
Base-Base interactions energy: -218.667
where: short stacking energy: -87.443
Base-Backbone interact. energy: -0.227
local terms energy: -87.729311
where:
bonds (distance) C4'-P energy: -14.588
bonds (distance) P-C4' energy: -17.395
flat angles C4'-P-C4' energy: -20.846
flat angles P-C4'-P energy: -12.717
tors. eta vs tors. theta energy: -22.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -122.043073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.043073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.043073 (E_RNA)
where:
Base-Base interactions energy: -56.134
where: short stacking energy: -39.945
Base-Backbone interact. energy: -0.080
local terms energy: -65.829549
where:
bonds (distance) C4'-P energy: -15.827
bonds (distance) P-C4' energy: -17.910
flat angles C4'-P-C4' energy: -17.702
flat angles P-C4'-P energy: -12.160
tors. eta vs tors. theta energy: -2.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -109.674434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.674434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.674434 (E_RNA)
where:
Base-Base interactions energy: -49.184
where: short stacking energy: -30.055
Base-Backbone interact. energy: 3.634
local terms energy: -64.124262
where:
bonds (distance) C4'-P energy: -20.453
bonds (distance) P-C4' energy: -11.389
flat angles C4'-P-C4' energy: -17.768
flat angles P-C4'-P energy: -14.677
tors. eta vs tors. theta energy: 0.163
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: 9, replica: 1
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -104.859798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.859798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.859798 (E_RNA)
where:
Base-Base interactions energy: -34.707
where: short stacking energy: -33.125
Base-Backbone interact. energy: -0.258
local terms energy: -69.894981
where:
bonds (distance) C4'-P energy: -18.849
bonds (distance) P-C4' energy: -15.521
flat angles C4'-P-C4' energy: -16.584
flat angles P-C4'-P energy: -14.257
tors. eta vs tors. theta energy: -4.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -111.490739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.490739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.490739 (E_RNA)
where:
Base-Base interactions energy: -47.644
where: short stacking energy: -37.837
Base-Backbone interact. energy: 0.397
local terms energy: -64.243551
where:
bonds (distance) C4'-P energy: -18.250
bonds (distance) P-C4' energy: -17.987
flat angles C4'-P-C4' energy: -16.723
flat angles P-C4'-P energy: -6.859
tors. eta vs tors. theta energy: -4.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -327.072535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.072535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.072535 (E_RNA)
where:
Base-Base interactions energy: -219.362
where: short stacking energy: -96.764
Base-Backbone interact. energy: 0.205
local terms energy: -107.915674
where:
bonds (distance) C4'-P energy: -21.601
bonds (distance) P-C4' energy: -19.481
flat angles C4'-P-C4' energy: -20.092
flat angles P-C4'-P energy: -17.298
tors. eta vs tors. theta energy: -29.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -323.249375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.249375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.249375 (E_RNA)
where:
Base-Base interactions energy: -224.227
where: short stacking energy: -89.554
Base-Backbone interact. energy: -0.475
local terms energy: -98.546990
where:
bonds (distance) C4'-P energy: -17.210
bonds (distance) P-C4' energy: -20.112
flat angles C4'-P-C4' energy: -19.212
flat angles P-C4'-P energy: -14.874
tors. eta vs tors. theta energy: -27.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -286.877950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.877950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.877950 (E_RNA)
where:
Base-Base interactions energy: -192.922
where: short stacking energy: -82.132
Base-Backbone interact. energy: 0.930
local terms energy: -94.885484
where:
bonds (distance) C4'-P energy: -18.378
bonds (distance) P-C4' energy: -18.225
flat angles C4'-P-C4' energy: -22.104
flat angles P-C4'-P energy: -12.558
tors. eta vs tors. theta energy: -23.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -302.008492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.008492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.008492 (E_RNA)
where:
Base-Base interactions energy: -211.186
where: short stacking energy: -80.070
Base-Backbone interact. energy: -0.848
local terms energy: -89.974966
where:
bonds (distance) C4'-P energy: -19.135
bonds (distance) P-C4' energy: -17.719
flat angles C4'-P-C4' energy: -18.625
flat angles P-C4'-P energy: -8.248
tors. eta vs tors. theta energy: -26.248
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: 3
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -292.907777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.907777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.907777 (E_RNA)
where:
Base-Base interactions energy: -205.275
where: short stacking energy: -84.760
Base-Backbone interact. energy: -0.185
local terms energy: -87.448129
where:
bonds (distance) C4'-P energy: -20.173
bonds (distance) P-C4' energy: -16.211
flat angles C4'-P-C4' energy: -17.921
flat angles P-C4'-P energy: -9.383
tors. eta vs tors. theta energy: -23.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -281.414831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.414831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.414831 (E_RNA)
where:
Base-Base interactions energy: -197.727
where: short stacking energy: -74.784
Base-Backbone interact. energy: -0.177
local terms energy: -83.510117
where:
bonds (distance) C4'-P energy: -20.968
bonds (distance) P-C4' energy: -20.380
flat angles C4'-P-C4' energy: -14.232
flat angles P-C4'-P energy: -7.104
tors. eta vs tors. theta energy: -20.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -125.219832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.219832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.219832 (E_RNA)
where:
Base-Base interactions energy: -54.920
where: short stacking energy: -39.513
Base-Backbone interact. energy: -0.140
local terms energy: -70.159683
where:
bonds (distance) C4'-P energy: -14.292
bonds (distance) P-C4' energy: -18.372
flat angles C4'-P-C4' energy: -19.454
flat angles P-C4'-P energy: -13.181
tors. eta vs tors. theta energy: -4.861
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: 4
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -104.867026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.867026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.867026 (E_RNA)
where:
Base-Base interactions energy: -46.155
where: short stacking energy: -35.953
Base-Backbone interact. energy: -0.154
local terms energy: -58.558054
where:
bonds (distance) C4'-P energy: -4.605
bonds (distance) P-C4' energy: -23.917
flat angles C4'-P-C4' energy: -19.430
flat angles P-C4'-P energy: -8.239
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: 5
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -119.006133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.006133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.006133 (E_RNA)
where:
Base-Base interactions energy: -50.646
where: short stacking energy: -50.346
Base-Backbone interact. energy: 0.346
local terms energy: -68.705989
where:
bonds (distance) C4'-P energy: -8.574
bonds (distance) P-C4' energy: -18.438
flat angles C4'-P-C4' energy: -17.868
flat angles P-C4'-P energy: -12.373
tors. eta vs tors. theta energy: -11.454
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: 1
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -95.674923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.674923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.674923 (E_RNA)
where:
Base-Base interactions energy: -33.166
where: short stacking energy: -31.989
Base-Backbone interact. energy: 0.889
local terms energy: -63.398382
where:
bonds (distance) C4'-P energy: -19.172
bonds (distance) P-C4' energy: -17.393
flat angles C4'-P-C4' energy: -20.999
flat angles P-C4'-P energy: -11.600
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: 1, replica: 2
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -328.817985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.817985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.817985 (E_RNA)
where:
Base-Base interactions energy: -229.872
where: short stacking energy: -101.339
Base-Backbone interact. energy: -0.910
local terms energy: -98.035547
where:
bonds (distance) C4'-P energy: -17.048
bonds (distance) P-C4' energy: -22.713
flat angles C4'-P-C4' energy: -19.146
flat angles P-C4'-P energy: -13.398
tors. eta vs tors. theta energy: -25.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -319.129773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.129773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.129773 (E_RNA)
where:
Base-Base interactions energy: -215.983
where: short stacking energy: -97.391
Base-Backbone interact. energy: -0.148
local terms energy: -102.998989
where:
bonds (distance) C4'-P energy: -17.703
bonds (distance) P-C4' energy: -20.545
flat angles C4'-P-C4' energy: -21.604
flat angles P-C4'-P energy: -15.902
tors. eta vs tors. theta energy: -27.246
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: 8
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -285.065881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.065881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.065881 (E_RNA)
where:
Base-Base interactions energy: -185.406
where: short stacking energy: -77.038
Base-Backbone interact. energy: -0.014
local terms energy: -99.645895
where:
bonds (distance) C4'-P energy: -19.681
bonds (distance) P-C4' energy: -23.238
flat angles C4'-P-C4' energy: -21.513
flat angles P-C4'-P energy: -13.853
tors. eta vs tors. theta energy: -21.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -286.558497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.558497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.558497 (E_RNA)
where:
Base-Base interactions energy: -203.255
where: short stacking energy: -74.512
Base-Backbone interact. energy: -0.128
local terms energy: -83.176229
where:
bonds (distance) C4'-P energy: -18.018
bonds (distance) P-C4' energy: -19.244
flat angles C4'-P-C4' energy: -14.994
flat angles P-C4'-P energy: -10.418
tors. eta vs tors. theta energy: -20.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -303.969049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.969049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.969049 (E_RNA)
where:
Base-Base interactions energy: -208.116
where: short stacking energy: -87.947
Base-Backbone interact. energy: -0.899
local terms energy: -94.953696
where:
bonds (distance) C4'-P energy: -16.996
bonds (distance) P-C4' energy: -20.415
flat angles C4'-P-C4' energy: -19.554
flat angles P-C4'-P energy: -11.772
tors. eta vs tors. theta energy: -26.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -283.539379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.539379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.539379 (E_RNA)
where:
Base-Base interactions energy: -187.928
where: short stacking energy: -72.101
Base-Backbone interact. energy: -0.128
local terms energy: -95.483518
where:
bonds (distance) C4'-P energy: -19.707
bonds (distance) P-C4' energy: -22.963
flat angles C4'-P-C4' energy: -16.880
flat angles P-C4'-P energy: -11.690
tors. eta vs tors. theta energy: -24.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -125.469147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.469147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.469147 (E_RNA)
where:
Base-Base interactions energy: -48.860
where: short stacking energy: -45.178
Base-Backbone interact. energy: 1.653
local terms energy: -78.261886
where:
bonds (distance) C4'-P energy: -17.161
bonds (distance) P-C4' energy: -21.564
flat angles C4'-P-C4' energy: -19.798
flat angles P-C4'-P energy: -7.830
tors. eta vs tors. theta energy: -11.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -116.285796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.285796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.285796 (E_RNA)
where:
Base-Base interactions energy: -44.969
where: short stacking energy: -44.969
Base-Backbone interact. energy: -0.151
local terms energy: -71.165208
where:
bonds (distance) C4'-P energy: -18.215
bonds (distance) P-C4' energy: -16.373
flat angles C4'-P-C4' energy: -17.701
flat angles P-C4'-P energy: -12.467
tors. eta vs tors. theta energy: -6.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -106.859298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.859298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.859298 (E_RNA)
where:
Base-Base interactions energy: -37.574
where: short stacking energy: -37.574
Base-Backbone interact. energy: -0.098
local terms energy: -69.187744
where:
bonds (distance) C4'-P energy: -16.586
bonds (distance) P-C4' energy: -21.559
flat angles C4'-P-C4' energy: -19.589
flat angles P-C4'-P energy: -6.989
tors. eta vs tors. theta energy: -4.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -96.965665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.965665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.965665 (E_RNA)
where:
Base-Base interactions energy: -43.716
where: short stacking energy: -27.738
Base-Backbone interact. energy: -0.083
local terms energy: -53.167279
where:
bonds (distance) C4'-P energy: -15.776
bonds (distance) P-C4' energy: -15.041
flat angles C4'-P-C4' energy: -13.235
flat angles P-C4'-P energy: -3.539
tors. eta vs tors. theta energy: -5.577
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: 7
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -323.902240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.902240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.902240 (E_RNA)
where:
Base-Base interactions energy: -221.106
where: short stacking energy: -95.518
Base-Backbone interact. energy: -0.590
local terms energy: -102.205686
where:
bonds (distance) C4'-P energy: -20.689
bonds (distance) P-C4' energy: -17.494
flat angles C4'-P-C4' energy: -23.261
flat angles P-C4'-P energy: -15.699
tors. eta vs tors. theta energy: -25.063
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: 2
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -329.549448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.549448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.549448 (E_RNA)
where:
Base-Base interactions energy: -230.332
where: short stacking energy: -105.970
Base-Backbone interact. energy: -0.101
local terms energy: -99.116341
where:
bonds (distance) C4'-P energy: -18.153
bonds (distance) P-C4' energy: -19.855
flat angles C4'-P-C4' energy: -19.292
flat angles P-C4'-P energy: -14.602
tors. eta vs tors. theta energy: -27.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -299.905832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.905832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.905832 (E_RNA)
where:
Base-Base interactions energy: -210.206
where: short stacking energy: -86.332
Base-Backbone interact. energy: -0.055
local terms energy: -89.644324
where:
bonds (distance) C4'-P energy: -17.164
bonds (distance) P-C4' energy: -19.360
flat angles C4'-P-C4' energy: -22.334
flat angles P-C4'-P energy: -8.217
tors. eta vs tors. theta energy: -22.569
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: 8
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -276.268742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.268742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.268742 (E_RNA)
where:
Base-Base interactions energy: -176.804
where: short stacking energy: -84.309
Base-Backbone interact. energy: -0.022
local terms energy: -99.443281
where:
bonds (distance) C4'-P energy: -23.863
bonds (distance) P-C4' energy: -15.964
flat angles C4'-P-C4' energy: -20.580
flat angles P-C4'-P energy: -15.742
tors. eta vs tors. theta energy: -23.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -297.824088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.824088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.824088 (E_RNA)
where:
Base-Base interactions energy: -206.603
where: short stacking energy: -84.005
Base-Backbone interact. energy: -1.130
local terms energy: -90.090721
where:
bonds (distance) C4'-P energy: -22.513
bonds (distance) P-C4' energy: -13.013
flat angles C4'-P-C4' energy: -21.846
flat angles P-C4'-P energy: -9.665
tors. eta vs tors. theta energy: -23.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -307.487317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.487317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.487317 (E_RNA)
where:
Base-Base interactions energy: -210.640
where: short stacking energy: -95.134
Base-Backbone interact. energy: -1.133
local terms energy: -95.714240
where:
bonds (distance) C4'-P energy: -14.824
bonds (distance) P-C4' energy: -14.625
flat angles C4'-P-C4' energy: -19.790
flat angles P-C4'-P energy: -19.171
tors. eta vs tors. theta energy: -27.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -122.225993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.225993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.225993 (E_RNA)
where:
Base-Base interactions energy: -44.962
where: short stacking energy: -39.043
Base-Backbone interact. energy: -0.699
local terms energy: -76.565495
where:
bonds (distance) C4'-P energy: -19.653
bonds (distance) P-C4' energy: -20.424
flat angles C4'-P-C4' energy: -14.500
flat angles P-C4'-P energy: -11.499
tors. eta vs tors. theta energy: -10.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -121.499331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.499331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.499331 (E_RNA)
where:
Base-Base interactions energy: -52.107
where: short stacking energy: -39.793
Base-Backbone interact. energy: 1.862
local terms energy: -71.253734
where:
bonds (distance) C4'-P energy: -18.903
bonds (distance) P-C4' energy: -17.225
flat angles C4'-P-C4' energy: -20.727
flat angles P-C4'-P energy: -16.006
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: 9, replica: 1
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -101.699651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.699651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.699651 (E_RNA)
where:
Base-Base interactions energy: -36.198
where: short stacking energy: -32.118
Base-Backbone interact. energy: -0.141
local terms energy: -65.360609
where:
bonds (distance) C4'-P energy: -17.907
bonds (distance) P-C4' energy: -19.432
flat angles C4'-P-C4' energy: -19.468
flat angles P-C4'-P energy: -5.252
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: 420
Temperature: 1.350000
Total energy: -115.221502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.221502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.221502 (E_RNA)
where:
Base-Base interactions energy: -57.711
where: short stacking energy: -34.142
Base-Backbone interact. energy: -0.578
local terms energy: -56.932933
where:
bonds (distance) C4'-P energy: -18.395
bonds (distance) P-C4' energy: -18.994
flat angles C4'-P-C4' energy: -11.391
flat angles P-C4'-P energy: -11.160
tors. eta vs tors. theta energy: 3.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -324.096703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.096703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.096703 (E_RNA)
where:
Base-Base interactions energy: -217.790
where: short stacking energy: -87.495
Base-Backbone interact. energy: -0.931
local terms energy: -105.375067
where:
bonds (distance) C4'-P energy: -21.561
bonds (distance) P-C4' energy: -22.448
flat angles C4'-P-C4' energy: -22.203
flat angles P-C4'-P energy: -14.112
tors. eta vs tors. theta energy: -25.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -299.345912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.345912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.345912 (E_RNA)
where:
Base-Base interactions energy: -199.574
where: short stacking energy: -74.834
Base-Backbone interact. energy: -0.201
local terms energy: -99.570743
where:
bonds (distance) C4'-P energy: -22.348
bonds (distance) P-C4' energy: -20.694
flat angles C4'-P-C4' energy: -20.016
flat angles P-C4'-P energy: -10.594
tors. eta vs tors. theta energy: -25.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -319.955243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.955243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.955243 (E_RNA)
where:
Base-Base interactions energy: -215.365
where: short stacking energy: -95.052
Base-Backbone interact. energy: -0.125
local terms energy: -104.465872
where:
bonds (distance) C4'-P energy: -20.641
bonds (distance) P-C4' energy: -24.250
flat angles C4'-P-C4' energy: -20.549
flat angles P-C4'-P energy: -12.708
tors. eta vs tors. theta energy: -26.317
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: 6
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -314.484826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.484826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.484826 (E_RNA)
where:
Base-Base interactions energy: -216.841
where: short stacking energy: -80.342
Base-Backbone interact. energy: -0.130
local terms energy: -97.513407
where:
bonds (distance) C4'-P energy: -17.054
bonds (distance) P-C4' energy: -20.022
flat angles C4'-P-C4' energy: -20.206
flat angles P-C4'-P energy: -13.782
tors. eta vs tors. theta energy: -26.449
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: 8
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -278.431967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.431967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.431967 (E_RNA)
where:
Base-Base interactions energy: -183.780
where: short stacking energy: -75.550
Base-Backbone interact. energy: -0.070
local terms energy: -94.581726
where:
bonds (distance) C4'-P energy: -15.884
bonds (distance) P-C4' energy: -22.583
flat angles C4'-P-C4' energy: -20.235
flat angles P-C4'-P energy: -13.332
tors. eta vs tors. theta energy: -22.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -289.787628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.787628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.787628 (E_RNA)
where:
Base-Base interactions energy: -195.355
where: short stacking energy: -75.250
Base-Backbone interact. energy: 3.763
local terms energy: -98.195333
where:
bonds (distance) C4'-P energy: -17.454
bonds (distance) P-C4' energy: -23.265
flat angles C4'-P-C4' energy: -17.976
flat angles P-C4'-P energy: -16.221
tors. eta vs tors. theta energy: -23.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -124.617920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.617920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.617920 (E_RNA)
where:
Base-Base interactions energy: -59.570
where: short stacking energy: -45.018
Base-Backbone interact. energy: -0.318
local terms energy: -64.729514
where:
bonds (distance) C4'-P energy: -14.960
bonds (distance) P-C4' energy: -16.504
flat angles C4'-P-C4' energy: -10.347
flat angles P-C4'-P energy: -14.844
tors. eta vs tors. theta energy: -8.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -133.531066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.531066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.531066 (E_RNA)
where:
Base-Base interactions energy: -57.895
where: short stacking energy: -48.801
Base-Backbone interact. energy: -0.294
local terms energy: -75.341963
where:
bonds (distance) C4'-P energy: -17.215
bonds (distance) P-C4' energy: -20.547
flat angles C4'-P-C4' energy: -17.353
flat angles P-C4'-P energy: -15.079
tors. eta vs tors. theta energy: -5.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -114.124712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.124712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.124712 (E_RNA)
where:
Base-Base interactions energy: -59.412
where: short stacking energy: -40.396
Base-Backbone interact. energy: 0.536
local terms energy: -55.247973
where:
bonds (distance) C4'-P energy: -17.945
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -6.105
flat angles P-C4'-P energy: -12.040
tors. eta vs tors. theta energy: -2.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -98.549634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.549634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.549634 (E_RNA)
where:
Base-Base interactions energy: -42.717
where: short stacking energy: -30.007
Base-Backbone interact. energy: -0.190
local terms energy: -55.642381
where:
bonds (distance) C4'-P energy: -16.858
bonds (distance) P-C4' energy: -12.964
flat angles C4'-P-C4' energy: -15.497
flat angles P-C4'-P energy: -5.679
tors. eta vs tors. theta energy: -4.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -328.888832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.888832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.888832 (E_RNA)
where:
Base-Base interactions energy: -219.829
where: short stacking energy: -99.118
Base-Backbone interact. energy: 0.155
local terms energy: -109.214855
where:
bonds (distance) C4'-P energy: -21.499
bonds (distance) P-C4' energy: -20.678
flat angles C4'-P-C4' energy: -23.663
flat angles P-C4'-P energy: -16.404
tors. eta vs tors. theta energy: -26.970
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: 10
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -309.849729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.849729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.849729 (E_RNA)
where:
Base-Base interactions energy: -216.636
where: short stacking energy: -79.972
Base-Backbone interact. energy: 0.859
local terms energy: -94.072651
where:
bonds (distance) C4'-P energy: -18.903
bonds (distance) P-C4' energy: -21.249
flat angles C4'-P-C4' energy: -16.289
flat angles P-C4'-P energy: -11.330
tors. eta vs tors. theta energy: -26.301
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: 2
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -315.816012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.816012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.816012 (E_RNA)
where:
Base-Base interactions energy: -213.153
where: short stacking energy: -86.249
Base-Backbone interact. energy: -0.108
local terms energy: -102.555345
where:
bonds (distance) C4'-P energy: -23.043
bonds (distance) P-C4' energy: -19.196
flat angles C4'-P-C4' energy: -22.449
flat angles P-C4'-P energy: -13.926
tors. eta vs tors. theta energy: -23.941
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: 6
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -316.324809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.324809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.324809 (E_RNA)
where:
Base-Base interactions energy: -222.450
where: short stacking energy: -90.383
Base-Backbone interact. energy: -0.439
local terms energy: -93.435808
where:
bonds (distance) C4'-P energy: -17.786
bonds (distance) P-C4' energy: -17.213
flat angles C4'-P-C4' energy: -17.908
flat angles P-C4'-P energy: -14.832
tors. eta vs tors. theta energy: -25.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -299.556390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.556390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.556390 (E_RNA)
where:
Base-Base interactions energy: -196.770
where: short stacking energy: -90.911
Base-Backbone interact. energy: -0.175
local terms energy: -102.611130
where:
bonds (distance) C4'-P energy: -18.794
bonds (distance) P-C4' energy: -21.929
flat angles C4'-P-C4' energy: -23.320
flat angles P-C4'-P energy: -13.066
tors. eta vs tors. theta energy: -25.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -272.950152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.950152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.950152 (E_RNA)
where:
Base-Base interactions energy: -181.331
where: short stacking energy: -69.214
Base-Backbone interact. energy: -0.012
local terms energy: -91.606926
where:
bonds (distance) C4'-P energy: -21.206
bonds (distance) P-C4' energy: -19.133
flat angles C4'-P-C4' energy: -19.400
flat angles P-C4'-P energy: -12.156
tors. eta vs tors. theta energy: -19.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -129.896170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.896170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.896170 (E_RNA)
where:
Base-Base interactions energy: -56.733
where: short stacking energy: -56.218
Base-Backbone interact. energy: -0.084
local terms energy: -73.080105
where:
bonds (distance) C4'-P energy: -17.483
bonds (distance) P-C4' energy: -13.542
flat angles C4'-P-C4' energy: -21.045
flat angles P-C4'-P energy: -7.482
tors. eta vs tors. theta energy: -13.528
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: 5
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -109.420107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.420107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.420107 (E_RNA)
where:
Base-Base interactions energy: -40.368
where: short stacking energy: -39.527
Base-Backbone interact. energy: -0.055
local terms energy: -68.997261
where:
bonds (distance) C4'-P energy: -14.726
bonds (distance) P-C4' energy: -20.135
flat angles C4'-P-C4' energy: -7.025
flat angles P-C4'-P energy: -15.565
tors. eta vs tors. theta energy: -11.546
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: 9, replica: 4
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -104.769839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.769839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.769839 (E_RNA)
where:
Base-Base interactions energy: -37.386
where: short stacking energy: -37.386
Base-Backbone interact. energy: -0.207
local terms energy: -67.177670
where:
bonds (distance) C4'-P energy: -18.377
bonds (distance) P-C4' energy: -15.894
flat angles C4'-P-C4' energy: -14.461
flat angles P-C4'-P energy: -12.104
tors. eta vs tors. theta energy: -6.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -124.257400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.257400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.257400 (E_RNA)
where:
Base-Base interactions energy: -60.830
where: short stacking energy: -31.124
Base-Backbone interact. energy: -0.378
local terms energy: -63.049472
where:
bonds (distance) C4'-P energy: -14.031
bonds (distance) P-C4' energy: -16.519
flat angles C4'-P-C4' energy: -20.887
flat angles P-C4'-P energy: -10.632
tors. eta vs tors. theta energy: -0.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -323.719228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.719228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.719228 (E_RNA)
where:
Base-Base interactions energy: -222.516
where: short stacking energy: -95.248
Base-Backbone interact. energy: 0.004
local terms energy: -101.206493
where:
bonds (distance) C4'-P energy: -15.873
bonds (distance) P-C4' energy: -22.067
flat angles C4'-P-C4' energy: -23.465
flat angles P-C4'-P energy: -14.274
tors. eta vs tors. theta energy: -25.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -317.998994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.998994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.998994 (E_RNA)
where:
Base-Base interactions energy: -213.956
where: short stacking energy: -87.723
Base-Backbone interact. energy: -0.308
local terms energy: -103.735429
where:
bonds (distance) C4'-P energy: -20.655
bonds (distance) P-C4' energy: -21.611
flat angles C4'-P-C4' energy: -20.564
flat angles P-C4'-P energy: -15.212
tors. eta vs tors. theta energy: -25.694
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: 10
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -299.692513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.692513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.692513 (E_RNA)
where:
Base-Base interactions energy: -200.028
where: short stacking energy: -76.812
Base-Backbone interact. energy: -0.533
local terms energy: -99.131770
where:
bonds (distance) C4'-P energy: -19.069
bonds (distance) P-C4' energy: -22.641
flat angles C4'-P-C4' energy: -20.056
flat angles P-C4'-P energy: -10.220
tors. eta vs tors. theta energy: -27.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -320.719066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.719066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.719066 (E_RNA)
where:
Base-Base interactions energy: -225.305
where: short stacking energy: -92.420
Base-Backbone interact. energy: 0.291
local terms energy: -95.704627
where:
bonds (distance) C4'-P energy: -19.240
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -19.821
flat angles P-C4'-P energy: -13.551
tors. eta vs tors. theta energy: -24.890
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: 5, replica: 3
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -291.937651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.937651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.937651 (E_RNA)
where:
Base-Base interactions energy: -200.561
where: short stacking energy: -76.004
Base-Backbone interact. energy: -0.356
local terms energy: -91.021509
where:
bonds (distance) C4'-P energy: -17.112
bonds (distance) P-C4' energy: -24.447
flat angles C4'-P-C4' energy: -20.474
flat angles P-C4'-P energy: -11.828
tors. eta vs tors. theta energy: -17.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -280.258658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.258658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.258658 (E_RNA)
where:
Base-Base interactions energy: -197.447
where: short stacking energy: -75.123
Base-Backbone interact. energy: -0.048
local terms energy: -82.762991
where:
bonds (distance) C4'-P energy: -19.615
bonds (distance) P-C4' energy: -17.979
flat angles C4'-P-C4' energy: -17.516
flat angles P-C4'-P energy: -6.771
tors. eta vs tors. theta energy: -20.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -136.139742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.139742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.139742 (E_RNA)
where:
Base-Base interactions energy: -66.088
where: short stacking energy: -33.365
Base-Backbone interact. energy: -0.290
local terms energy: -69.761402
where:
bonds (distance) C4'-P energy: -18.936
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -15.721
flat angles P-C4'-P energy: -13.165
tors. eta vs tors. theta energy: -4.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -106.820203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.820203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.820203 (E_RNA)
where:
Base-Base interactions energy: -43.949
where: short stacking energy: -29.662
Base-Backbone interact. energy: -0.205
local terms energy: -62.666525
where:
bonds (distance) C4'-P energy: -19.488
bonds (distance) P-C4' energy: -18.752
flat angles C4'-P-C4' energy: -15.818
flat angles P-C4'-P energy: -10.270
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: 9, replica: 5
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -106.006032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.006032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.006032 (E_RNA)
where:
Base-Base interactions energy: -36.005
where: short stacking energy: -33.996
Base-Backbone interact. energy: -0.513
local terms energy: -69.488097
where:
bonds (distance) C4'-P energy: -15.027
bonds (distance) P-C4' energy: -18.857
flat angles C4'-P-C4' energy: -20.216
flat angles P-C4'-P energy: -9.213
tors. eta vs tors. theta energy: -6.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -111.498285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.498285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.498285 (E_RNA)
where:
Base-Base interactions energy: -45.422
where: short stacking energy: -38.552
Base-Backbone interact. energy: -0.511
local terms energy: -65.566197
where:
bonds (distance) C4'-P energy: -17.193
bonds (distance) P-C4' energy: -12.177
flat angles C4'-P-C4' energy: -19.889
flat angles P-C4'-P energy: -11.077
tors. eta vs tors. theta energy: -5.231
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: 2
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -321.808987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.808987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.808987 (E_RNA)
where:
Base-Base interactions energy: -227.034
where: short stacking energy: -89.365
Base-Backbone interact. energy: -0.651
local terms energy: -94.123671
where:
bonds (distance) C4'-P energy: -18.701
bonds (distance) P-C4' energy: -17.077
flat angles C4'-P-C4' energy: -14.888
flat angles P-C4'-P energy: -14.575
tors. eta vs tors. theta energy: -28.882
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: 7
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -322.722744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.722744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.722744 (E_RNA)
where:
Base-Base interactions energy: -215.864
where: short stacking energy: -84.918
Base-Backbone interact. energy: -1.439
local terms energy: -105.420212
where:
bonds (distance) C4'-P energy: -21.791
bonds (distance) P-C4' energy: -21.582
flat angles C4'-P-C4' energy: -23.327
flat angles P-C4'-P energy: -12.457
tors. eta vs tors. theta energy: -26.264
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: 3, replica: 6
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -314.385441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.385441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.385441 (E_RNA)
where:
Base-Base interactions energy: -215.378
where: short stacking energy: -96.221
Base-Backbone interact. energy: 0.187
local terms energy: -99.194411
where:
bonds (distance) C4'-P energy: -16.962
bonds (distance) P-C4' energy: -21.560
flat angles C4'-P-C4' energy: -21.834
flat angles P-C4'-P energy: -14.020
tors. eta vs tors. theta energy: -24.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -288.905968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.905968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.905968 (E_RNA)
where:
Base-Base interactions energy: -194.480
where: short stacking energy: -79.535
Base-Backbone interact. energy: 0.310
local terms energy: -94.736059
where:
bonds (distance) C4'-P energy: -20.386
bonds (distance) P-C4' energy: -14.249
flat angles C4'-P-C4' energy: -18.804
flat angles P-C4'-P energy: -18.371
tors. eta vs tors. theta energy: -22.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -279.211623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.211623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.211623 (E_RNA)
where:
Base-Base interactions energy: -194.176
where: short stacking energy: -77.725
Base-Backbone interact. energy: -0.475
local terms energy: -84.560130
where:
bonds (distance) C4'-P energy: -16.717
bonds (distance) P-C4' energy: -23.671
flat angles C4'-P-C4' energy: -18.260
flat angles P-C4'-P energy: -6.632
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: 6, replica: 3
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -295.122376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.122376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.122376 (E_RNA)
where:
Base-Base interactions energy: -201.658
where: short stacking energy: -89.608
Base-Backbone interact. energy: -0.114
local terms energy: -93.350782
where:
bonds (distance) C4'-P energy: -18.585
bonds (distance) P-C4' energy: -19.731
flat angles C4'-P-C4' energy: -19.473
flat angles P-C4'-P energy: -9.718
tors. eta vs tors. theta energy: -25.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -116.863277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.863277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.863277 (E_RNA)
where:
Base-Base interactions energy: -57.715
where: short stacking energy: -48.006
Base-Backbone interact. energy: 0.179
local terms energy: -59.327990
where:
bonds (distance) C4'-P energy: -13.120
bonds (distance) P-C4' energy: -17.944
flat angles C4'-P-C4' energy: -18.444
flat angles P-C4'-P energy: -7.073
tors. eta vs tors. theta energy: -2.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -120.492354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.492354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.492354 (E_RNA)
where:
Base-Base interactions energy: -53.231
where: short stacking energy: -38.076
Base-Backbone interact. energy: -0.473
local terms energy: -66.789062
where:
bonds (distance) C4'-P energy: -20.129
bonds (distance) P-C4' energy: -14.382
flat angles C4'-P-C4' energy: -19.347
flat angles P-C4'-P energy: -7.205
tors. eta vs tors. theta energy: -5.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -101.963736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.963736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.963736 (E_RNA)
where:
Base-Base interactions energy: -39.637
where: short stacking energy: -22.985
Base-Backbone interact. energy: 0.054
local terms energy: -62.380314
where:
bonds (distance) C4'-P energy: -20.877
bonds (distance) P-C4' energy: -16.171
flat angles C4'-P-C4' energy: -11.918
flat angles P-C4'-P energy: -8.385
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: 10, replica: 5
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -97.679579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.679579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.679579 (E_RNA)
where:
Base-Base interactions energy: -29.389
where: short stacking energy: -28.944
Base-Backbone interact. energy: -0.108
local terms energy: -68.182764
where:
bonds (distance) C4'-P energy: -14.506
bonds (distance) P-C4' energy: -18.537
flat angles C4'-P-C4' energy: -21.372
flat angles P-C4'-P energy: -9.063
tors. eta vs tors. theta energy: -4.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -331.126866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.126866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.126866 (E_RNA)
where:
Base-Base interactions energy: -219.422
where: short stacking energy: -94.538
Base-Backbone interact. energy: -0.063
local terms energy: -111.641208
where:
bonds (distance) C4'-P energy: -21.606
bonds (distance) P-C4' energy: -24.231
flat angles C4'-P-C4' energy: -22.888
flat angles P-C4'-P energy: -15.008
tors. eta vs tors. theta energy: -27.909
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: 6
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -326.523151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.523151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.523151 (E_RNA)
where:
Base-Base interactions energy: -226.939
where: short stacking energy: -93.597
Base-Backbone interact. energy: -0.271
local terms energy: -99.312598
where:
bonds (distance) C4'-P energy: -15.579
bonds (distance) P-C4' energy: -22.746
flat angles C4'-P-C4' energy: -21.330
flat angles P-C4'-P energy: -14.792
tors. eta vs tors. theta energy: -24.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -324.410865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.410865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.410865 (E_RNA)
where:
Base-Base interactions energy: -220.935
where: short stacking energy: -96.754
Base-Backbone interact. energy: 1.686
local terms energy: -105.162119
where:
bonds (distance) C4'-P energy: -22.525
bonds (distance) P-C4' energy: -18.316
flat angles C4'-P-C4' energy: -22.517
flat angles P-C4'-P energy: -13.874
tors. eta vs tors. theta energy: -27.930
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: 10
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -303.973911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.973911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.973911 (E_RNA)
where:
Base-Base interactions energy: -215.523
where: short stacking energy: -88.397
Base-Backbone interact. energy: -0.192
local terms energy: -88.259051
where:
bonds (distance) C4'-P energy: -20.509
bonds (distance) P-C4' energy: -18.346
flat angles C4'-P-C4' energy: -17.181
flat angles P-C4'-P energy: -8.774
tors. eta vs tors. theta energy: -23.449
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: 8
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -288.551890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.551890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.551890 (E_RNA)
where:
Base-Base interactions energy: -197.111
where: short stacking energy: -85.484
Base-Backbone interact. energy: 0.309
local terms energy: -91.750254
where:
bonds (distance) C4'-P energy: -15.455
bonds (distance) P-C4' energy: -15.389
flat angles C4'-P-C4' energy: -22.391
flat angles P-C4'-P energy: -14.542
tors. eta vs tors. theta energy: -23.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -300.016000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.016000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.016000 (E_RNA)
where:
Base-Base interactions energy: -211.097
where: short stacking energy: -93.960
Base-Backbone interact. energy: -0.279
local terms energy: -88.639845
where:
bonds (distance) C4'-P energy: -14.217
bonds (distance) P-C4' energy: -21.272
flat angles C4'-P-C4' energy: -19.103
flat angles P-C4'-P energy: -8.168
tors. eta vs tors. theta energy: -25.880
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: 4
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -113.695016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.695016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.695016 (E_RNA)
where:
Base-Base interactions energy: -45.175
where: short stacking energy: -36.436
Base-Backbone interact. energy: -1.012
local terms energy: -67.508217
where:
bonds (distance) C4'-P energy: -16.866
bonds (distance) P-C4' energy: -18.943
flat angles C4'-P-C4' energy: -18.849
flat angles P-C4'-P energy: -12.232
tors. eta vs tors. theta energy: -0.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -114.961809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.961809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.961809 (E_RNA)
where:
Base-Base interactions energy: -53.480
where: short stacking energy: -50.459
Base-Backbone interact. energy: 0.792
local terms energy: -62.273762
where:
bonds (distance) C4'-P energy: -16.082
bonds (distance) P-C4' energy: -20.739
flat angles C4'-P-C4' energy: -16.321
flat angles P-C4'-P energy: -7.453
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: 9, replica: 1
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -110.388479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.388479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.388479 (E_RNA)
where:
Base-Base interactions energy: -41.450
where: short stacking energy: -34.121
Base-Backbone interact. energy: -0.590
local terms energy: -68.348311
where:
bonds (distance) C4'-P energy: -20.165
bonds (distance) P-C4' energy: -20.129
flat angles C4'-P-C4' energy: -14.693
flat angles P-C4'-P energy: -10.686
tors. eta vs tors. theta energy: -2.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -97.726551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.726551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.726551 (E_RNA)
where:
Base-Base interactions energy: -35.238
where: short stacking energy: -35.131
Base-Backbone interact. energy: -0.425
local terms energy: -62.063084
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -20.804
flat angles C4'-P-C4' energy: -15.343
flat angles P-C4'-P energy: -6.481
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: 1, replica: 2
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -335.179730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.179730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.179730 (E_RNA)
where:
Base-Base interactions energy: -224.656
where: short stacking energy: -99.749
Base-Backbone interact. energy: -0.089
local terms energy: -110.434667
where:
bonds (distance) C4'-P energy: -22.363
bonds (distance) P-C4' energy: -18.470
flat angles C4'-P-C4' energy: -23.629
flat angles P-C4'-P energy: -15.063
tors. eta vs tors. theta energy: -30.909
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: 6
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -326.793511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.793511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.793511 (E_RNA)
where:
Base-Base interactions energy: -222.555
where: short stacking energy: -91.875
Base-Backbone interact. energy: -0.153
local terms energy: -104.085225
where:
bonds (distance) C4'-P energy: -18.927
bonds (distance) P-C4' energy: -20.273
flat angles C4'-P-C4' energy: -20.201
flat angles P-C4'-P energy: -18.818
tors. eta vs tors. theta energy: -25.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -319.817582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.817582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.817582 (E_RNA)
where:
Base-Base interactions energy: -212.190
where: short stacking energy: -93.387
Base-Backbone interact. energy: -0.643
local terms energy: -106.984900
where:
bonds (distance) C4'-P energy: -22.497
bonds (distance) P-C4' energy: -20.277
flat angles C4'-P-C4' energy: -19.787
flat angles P-C4'-P energy: -14.772
tors. eta vs tors. theta energy: -29.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -302.415738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.415738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.415738 (E_RNA)
where:
Base-Base interactions energy: -214.790
where: short stacking energy: -78.842
Base-Backbone interact. energy: 0.735
local terms energy: -88.360875
where:
bonds (distance) C4'-P energy: -19.198
bonds (distance) P-C4' energy: -19.189
flat angles C4'-P-C4' energy: -18.843
flat angles P-C4'-P energy: -7.944
tors. eta vs tors. theta energy: -23.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -293.510362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.510362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.510362 (E_RNA)
where:
Base-Base interactions energy: -202.987
where: short stacking energy: -86.443
Base-Backbone interact. energy: 0.052
local terms energy: -90.575300
where:
bonds (distance) C4'-P energy: -16.108
bonds (distance) P-C4' energy: -19.494
flat angles C4'-P-C4' energy: -20.639
flat angles P-C4'-P energy: -13.086
tors. eta vs tors. theta energy: -21.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -288.582496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.582496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.582496 (E_RNA)
where:
Base-Base interactions energy: -201.979
where: short stacking energy: -81.242
Base-Backbone interact. energy: -0.605
local terms energy: -85.998623
where:
bonds (distance) C4'-P energy: -19.566
bonds (distance) P-C4' energy: -13.210
flat angles C4'-P-C4' energy: -22.933
flat angles P-C4'-P energy: -9.549
tors. eta vs tors. theta energy: -20.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -136.486478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.486478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.486478 (E_RNA)
where:
Base-Base interactions energy: -59.474
where: short stacking energy: -44.903
Base-Backbone interact. energy: -0.177
local terms energy: -76.835181
where:
bonds (distance) C4'-P energy: -16.700
bonds (distance) P-C4' energy: -22.212
flat angles C4'-P-C4' energy: -17.884
flat angles P-C4'-P energy: -10.757
tors. eta vs tors. theta energy: -9.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -109.402710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.402710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.402710 (E_RNA)
where:
Base-Base interactions energy: -60.677
where: short stacking energy: -37.913
Base-Backbone interact. energy: -0.446
local terms energy: -48.279385
where:
bonds (distance) C4'-P energy: -10.539
bonds (distance) P-C4' energy: -17.297
flat angles C4'-P-C4' energy: -14.155
flat angles P-C4'-P energy: -7.854
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: 1
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -127.428828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.428828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.428828 (E_RNA)
where:
Base-Base interactions energy: -70.566
where: short stacking energy: -31.539
Base-Backbone interact. energy: -0.357
local terms energy: -56.505521
where:
bonds (distance) C4'-P energy: -14.179
bonds (distance) P-C4' energy: -11.526
flat angles C4'-P-C4' energy: -20.348
flat angles P-C4'-P energy: -12.348
tors. eta vs tors. theta energy: 1.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -111.625870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.625870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.625870 (E_RNA)
where:
Base-Base interactions energy: -53.636
where: short stacking energy: -39.210
Base-Backbone interact. energy: 1.488
local terms energy: -59.477748
where:
bonds (distance) C4'-P energy: -12.818
bonds (distance) P-C4' energy: -16.018
flat angles C4'-P-C4' energy: -17.108
flat angles P-C4'-P energy: -7.165
tors. eta vs tors. theta energy: -6.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -331.298671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.298671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.298671 (E_RNA)
where:
Base-Base interactions energy: -223.380
where: short stacking energy: -101.469
Base-Backbone interact. energy: 0.055
local terms energy: -107.973838
where:
bonds (distance) C4'-P energy: -21.208
bonds (distance) P-C4' energy: -20.439
flat angles C4'-P-C4' energy: -21.636
flat angles P-C4'-P energy: -15.460
tors. eta vs tors. theta energy: -29.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -324.033389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.033389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.033389 (E_RNA)
where:
Base-Base interactions energy: -218.874
where: short stacking energy: -95.009
Base-Backbone interact. energy: -0.083
local terms energy: -105.076364
where:
bonds (distance) C4'-P energy: -21.722
bonds (distance) P-C4' energy: -20.035
flat angles C4'-P-C4' energy: -25.358
flat angles P-C4'-P energy: -11.003
tors. eta vs tors. theta energy: -26.958
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: 7
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -317.630974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.630974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.630974 (E_RNA)
where:
Base-Base interactions energy: -210.349
where: short stacking energy: -101.267
Base-Backbone interact. energy: -0.311
local terms energy: -106.970930
where:
bonds (distance) C4'-P energy: -16.402
bonds (distance) P-C4' energy: -21.432
flat angles C4'-P-C4' energy: -21.921
flat angles P-C4'-P energy: -18.495
tors. eta vs tors. theta energy: -28.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -324.409103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.409103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.409103 (E_RNA)
where:
Base-Base interactions energy: -226.439
where: short stacking energy: -94.173
Base-Backbone interact. energy: -0.406
local terms energy: -97.564224
where:
bonds (distance) C4'-P energy: -20.762
bonds (distance) P-C4' energy: -20.313
flat angles C4'-P-C4' energy: -22.663
flat angles P-C4'-P energy: -9.900
tors. eta vs tors. theta energy: -23.926
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: 10
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -307.886947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.886947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.886947 (E_RNA)
where:
Base-Base interactions energy: -212.899
where: short stacking energy: -79.979
Base-Backbone interact. energy: -0.030
local terms energy: -94.957676
where:
bonds (distance) C4'-P energy: -20.559
bonds (distance) P-C4' energy: -22.000
flat angles C4'-P-C4' energy: -16.763
flat angles P-C4'-P energy: -10.650
tors. eta vs tors. theta energy: -24.985
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: 8
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -265.928844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.928844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.928844 (E_RNA)
where:
Base-Base interactions energy: -189.350
where: short stacking energy: -72.223
Base-Backbone interact. energy: -0.070
local terms energy: -76.508281
where:
bonds (distance) C4'-P energy: -16.143
bonds (distance) P-C4' energy: -16.347
flat angles C4'-P-C4' energy: -17.792
flat angles P-C4'-P energy: -4.984
tors. eta vs tors. theta energy: -21.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -162.376370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.376370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.376370 (E_RNA)
where:
Base-Base interactions energy: -93.483
where: short stacking energy: -49.239
Base-Backbone interact. energy: -0.104
local terms energy: -68.789436
where:
bonds (distance) C4'-P energy: -14.577
bonds (distance) P-C4' energy: -17.839
flat angles C4'-P-C4' energy: -18.253
flat angles P-C4'-P energy: -12.837
tors. eta vs tors. theta energy: -5.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -126.722115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.722115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.722115 (E_RNA)
where:
Base-Base interactions energy: -62.269
where: short stacking energy: -44.560
Base-Backbone interact. energy: -0.614
local terms energy: -63.839848
where:
bonds (distance) C4'-P energy: -15.454
bonds (distance) P-C4' energy: -14.609
flat angles C4'-P-C4' energy: -17.471
flat angles P-C4'-P energy: -14.403
tors. eta vs tors. theta energy: -1.903
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: 9, replica: 4
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -102.305624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.305624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.305624 (E_RNA)
where:
Base-Base interactions energy: -48.378
where: short stacking energy: -26.132
Base-Backbone interact. energy: -0.317
local terms energy: -53.610015
where:
bonds (distance) C4'-P energy: -18.149
bonds (distance) P-C4' energy: -20.887
flat angles C4'-P-C4' energy: -11.342
flat angles P-C4'-P energy: -7.941
tors. eta vs tors. theta energy: 4.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -96.992919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.992919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.992919 (E_RNA)
where:
Base-Base interactions energy: -36.713
where: short stacking energy: -31.293
Base-Backbone interact. energy: -0.318
local terms energy: -59.962160
where:
bonds (distance) C4'-P energy: -15.040
bonds (distance) P-C4' energy: -19.181
flat angles C4'-P-C4' energy: -18.186
flat angles P-C4'-P energy: -9.764
tors. eta vs tors. theta energy: 2.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -329.684796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.684796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.684796 (E_RNA)
where:
Base-Base interactions energy: -232.717
where: short stacking energy: -97.516
Base-Backbone interact. energy: -0.106
local terms energy: -96.861824
where:
bonds (distance) C4'-P energy: -20.217
bonds (distance) P-C4' energy: -21.034
flat angles C4'-P-C4' energy: -21.445
flat angles P-C4'-P energy: -9.356
tors. eta vs tors. theta energy: -24.810
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: 2
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -325.667698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.667698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.667698 (E_RNA)
where:
Base-Base interactions energy: -214.833
where: short stacking energy: -89.904
Base-Backbone interact. energy: -1.659
local terms energy: -109.175876
where:
bonds (distance) C4'-P energy: -22.269
bonds (distance) P-C4' energy: -21.616
flat angles C4'-P-C4' energy: -21.920
flat angles P-C4'-P energy: -16.398
tors. eta vs tors. theta energy: -26.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -318.259740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.259740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.259740 (E_RNA)
where:
Base-Base interactions energy: -216.100
where: short stacking energy: -97.290
Base-Backbone interact. energy: -0.086
local terms energy: -102.073314
where:
bonds (distance) C4'-P energy: -18.998
bonds (distance) P-C4' energy: -19.082
flat angles C4'-P-C4' energy: -21.483
flat angles P-C4'-P energy: -16.894
tors. eta vs tors. theta energy: -25.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -310.675681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.675681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.675681 (E_RNA)
where:
Base-Base interactions energy: -208.199
where: short stacking energy: -87.077
Base-Backbone interact. energy: -0.763
local terms energy: -101.713956
where:
bonds (distance) C4'-P energy: -21.167
bonds (distance) P-C4' energy: -21.161
flat angles C4'-P-C4' energy: -18.427
flat angles P-C4'-P energy: -15.135
tors. eta vs tors. theta energy: -25.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -281.881851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.881851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.881851 (E_RNA)
where:
Base-Base interactions energy: -199.191
where: short stacking energy: -70.219
Base-Backbone interact. energy: -0.441
local terms energy: -82.250180
where:
bonds (distance) C4'-P energy: -17.736
bonds (distance) P-C4' energy: -17.894
flat angles C4'-P-C4' energy: -16.225
flat angles P-C4'-P energy: -7.702
tors. eta vs tors. theta energy: -22.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -280.723141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.723141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.723141 (E_RNA)
where:
Base-Base interactions energy: -195.163
where: short stacking energy: -79.798
Base-Backbone interact. energy: -0.614
local terms energy: -84.945654
where:
bonds (distance) C4'-P energy: -21.688
bonds (distance) P-C4' energy: -16.779
flat angles C4'-P-C4' energy: -16.758
flat angles P-C4'-P energy: -10.289
tors. eta vs tors. theta energy: -19.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -218.660328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.660328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.660328 (E_RNA)
where:
Base-Base interactions energy: -144.147
where: short stacking energy: -62.295
Base-Backbone interact. energy: -0.204
local terms energy: -74.309633
where:
bonds (distance) C4'-P energy: -17.160
bonds (distance) P-C4' energy: -18.378
flat angles C4'-P-C4' energy: -14.955
flat angles P-C4'-P energy: -6.874
tors. eta vs tors. theta energy: -16.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -151.806237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.806237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.806237 (E_RNA)
where:
Base-Base interactions energy: -87.768
where: short stacking energy: -46.628
Base-Backbone interact. energy: -0.045
local terms energy: -63.993660
where:
bonds (distance) C4'-P energy: -15.401
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -16.506
flat angles P-C4'-P energy: -11.472
tors. eta vs tors. theta energy: -5.086
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: 9, replica: 5
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -103.930727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.930727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.930727 (E_RNA)
where:
Base-Base interactions energy: -42.520
where: short stacking energy: -31.957
Base-Backbone interact. energy: -0.361
local terms energy: -61.049837
where:
bonds (distance) C4'-P energy: -16.706
bonds (distance) P-C4' energy: -14.521
flat angles C4'-P-C4' energy: -19.499
flat angles P-C4'-P energy: -8.577
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: 10, replica: 4
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -111.901691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.901691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.901691 (E_RNA)
where:
Base-Base interactions energy: -49.213
where: short stacking energy: -31.682
Base-Backbone interact. energy: 1.240
local terms energy: -63.928079
where:
bonds (distance) C4'-P energy: -18.787
bonds (distance) P-C4' energy: -15.221
flat angles C4'-P-C4' energy: -11.723
flat angles P-C4'-P energy: -13.826
tors. eta vs tors. theta energy: -4.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -331.981692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.981692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.981692 (E_RNA)
where:
Base-Base interactions energy: -227.846
where: short stacking energy: -93.235
Base-Backbone interact. energy: -0.032
local terms energy: -104.103155
where:
bonds (distance) C4'-P energy: -21.227
bonds (distance) P-C4' energy: -19.916
flat angles C4'-P-C4' energy: -22.309
flat angles P-C4'-P energy: -14.987
tors. eta vs tors. theta energy: -25.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -326.509656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.509656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.509656 (E_RNA)
where:
Base-Base interactions energy: -214.977
where: short stacking energy: -94.694
Base-Backbone interact. energy: -0.616
local terms energy: -110.916139
where:
bonds (distance) C4'-P energy: -20.525
bonds (distance) P-C4' energy: -20.622
flat angles C4'-P-C4' energy: -24.552
flat angles P-C4'-P energy: -17.378
tors. eta vs tors. theta energy: -27.839
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: 7
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -326.765846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.765846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.765846 (E_RNA)
where:
Base-Base interactions energy: -218.616
where: short stacking energy: -97.228
Base-Backbone interact. energy: -0.098
local terms energy: -108.051932
where:
bonds (distance) C4'-P energy: -19.586
bonds (distance) P-C4' energy: -23.166
flat angles C4'-P-C4' energy: -20.517
flat angles P-C4'-P energy: -17.273
tors. eta vs tors. theta energy: -27.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -309.316721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.316721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.316721 (E_RNA)
where:
Base-Base interactions energy: -219.721
where: short stacking energy: -96.287
Base-Backbone interact. energy: -0.773
local terms energy: -88.822790
where:
bonds (distance) C4'-P energy: -13.830
bonds (distance) P-C4' energy: -14.045
flat angles C4'-P-C4' energy: -18.304
flat angles P-C4'-P energy: -15.014
tors. eta vs tors. theta energy: -27.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -276.564964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.564964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.564964 (E_RNA)
where:
Base-Base interactions energy: -184.977
where: short stacking energy: -72.526
Base-Backbone interact. energy: -0.167
local terms energy: -91.421424
where:
bonds (distance) C4'-P energy: -17.222
bonds (distance) P-C4' energy: -21.602
flat angles C4'-P-C4' energy: -19.021
flat angles P-C4'-P energy: -13.947
tors. eta vs tors. theta energy: -19.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -252.683844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.683844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.683844 (E_RNA)
where:
Base-Base interactions energy: -173.174
where: short stacking energy: -69.814
Base-Backbone interact. energy: -0.485
local terms energy: -79.025216
where:
bonds (distance) C4'-P energy: -15.347
bonds (distance) P-C4' energy: -20.426
flat angles C4'-P-C4' energy: -17.437
flat angles P-C4'-P energy: -10.911
tors. eta vs tors. theta energy: -14.904
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: 7, replica: 9
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -212.763028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.763028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.763028 (E_RNA)
where:
Base-Base interactions energy: -137.024
where: short stacking energy: -55.987
Base-Backbone interact. energy: 1.458
local terms energy: -77.197144
where:
bonds (distance) C4'-P energy: -17.945
bonds (distance) P-C4' energy: -20.602
flat angles C4'-P-C4' energy: -19.438
flat angles P-C4'-P energy: -10.124
tors. eta vs tors. theta energy: -9.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -168.370098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.370098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.370098 (E_RNA)
where:
Base-Base interactions energy: -98.825
where: short stacking energy: -50.740
Base-Backbone interact. energy: -1.016
local terms energy: -68.528719
where:
bonds (distance) C4'-P energy: -11.477
bonds (distance) P-C4' energy: -23.357
flat angles C4'-P-C4' energy: -14.330
flat angles P-C4'-P energy: -13.243
tors. eta vs tors. theta energy: -6.122
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: 9, replica: 5
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -112.775161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.775161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.775161 (E_RNA)
where:
Base-Base interactions energy: -52.885
where: short stacking energy: -34.825
Base-Backbone interact. energy: -0.351
local terms energy: -59.539090
where:
bonds (distance) C4'-P energy: -15.255
bonds (distance) P-C4' energy: -10.729
flat angles C4'-P-C4' energy: -16.538
flat angles P-C4'-P energy: -12.670
tors. eta vs tors. theta energy: -4.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -95.905182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.905182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.905182 (E_RNA)
where:
Base-Base interactions energy: -33.905
where: short stacking energy: -29.751
Base-Backbone interact. energy: -0.242
local terms energy: -61.758501
where:
bonds (distance) C4'-P energy: -14.828
bonds (distance) P-C4' energy: -22.202
flat angles C4'-P-C4' energy: -16.017
flat angles P-C4'-P energy: -6.972
tors. eta vs tors. theta energy: -1.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -331.290069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.290069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.290069 (E_RNA)
where:
Base-Base interactions energy: -227.492
where: short stacking energy: -98.657
Base-Backbone interact. energy: -0.448
local terms energy: -103.349616
where:
bonds (distance) C4'-P energy: -21.122
bonds (distance) P-C4' energy: -14.308
flat angles C4'-P-C4' energy: -25.180
flat angles P-C4'-P energy: -15.058
tors. eta vs tors. theta energy: -27.681
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: 6
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -325.892908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.892908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.892908 (E_RNA)
where:
Base-Base interactions energy: -223.431
where: short stacking energy: -97.319
Base-Backbone interact. energy: -0.347
local terms energy: -102.115332
where:
bonds (distance) C4'-P energy: -20.175
bonds (distance) P-C4' energy: -20.633
flat angles C4'-P-C4' energy: -22.392
flat angles P-C4'-P energy: -11.947
tors. eta vs tors. theta energy: -26.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -325.854665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.854665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.854665 (E_RNA)
where:
Base-Base interactions energy: -225.799
where: short stacking energy: -93.554
Base-Backbone interact. energy: -0.094
local terms energy: -99.961820
where:
bonds (distance) C4'-P energy: -19.034
bonds (distance) P-C4' energy: -20.837
flat angles C4'-P-C4' energy: -19.253
flat angles P-C4'-P energy: -14.804
tors. eta vs tors. theta energy: -26.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -314.758660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.758660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.758660 (E_RNA)
where:
Base-Base interactions energy: -212.895
where: short stacking energy: -96.803
Base-Backbone interact. energy: -0.286
local terms energy: -101.577781
where:
bonds (distance) C4'-P energy: -16.807
bonds (distance) P-C4' energy: -20.650
flat angles C4'-P-C4' energy: -24.411
flat angles P-C4'-P energy: -11.167
tors. eta vs tors. theta energy: -28.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -285.185463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.185463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.185463 (E_RNA)
where:
Base-Base interactions energy: -208.391
where: short stacking energy: -86.241
Base-Backbone interact. energy: -0.050
local terms energy: -76.744264
where:
bonds (distance) C4'-P energy: -19.524
bonds (distance) P-C4' energy: -13.750
flat angles C4'-P-C4' energy: -15.775
flat angles P-C4'-P energy: -6.812
tors. eta vs tors. theta energy: -20.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -234.883559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.883559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.883559 (E_RNA)
where:
Base-Base interactions energy: -162.358
where: short stacking energy: -79.133
Base-Backbone interact. energy: -0.036
local terms energy: -72.489259
where:
bonds (distance) C4'-P energy: -9.526
bonds (distance) P-C4' energy: -21.856
flat angles C4'-P-C4' energy: -18.340
flat angles P-C4'-P energy: -8.976
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: 7, replica: 9
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -181.482311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.482311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.482311 (E_RNA)
where:
Base-Base interactions energy: -99.648
where: short stacking energy: -57.657
Base-Backbone interact. energy: 0.361
local terms energy: -82.195729
where:
bonds (distance) C4'-P energy: -16.644
bonds (distance) P-C4' energy: -20.602
flat angles C4'-P-C4' energy: -19.471
flat angles P-C4'-P energy: -10.888
tors. eta vs tors. theta energy: -14.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -138.683474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.683474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.683474 (E_RNA)
where:
Base-Base interactions energy: -63.035
where: short stacking energy: -46.882
Base-Backbone interact. energy: -0.731
local terms energy: -74.917043
where:
bonds (distance) C4'-P energy: -16.517
bonds (distance) P-C4' energy: -18.100
flat angles C4'-P-C4' energy: -15.887
flat angles P-C4'-P energy: -12.559
tors. eta vs tors. theta energy: -11.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -106.951905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.951905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.951905 (E_RNA)
where:
Base-Base interactions energy: -39.035
where: short stacking energy: -39.035
Base-Backbone interact. energy: -0.109
local terms energy: -67.807963
where:
bonds (distance) C4'-P energy: -15.934
bonds (distance) P-C4' energy: -14.064
flat angles C4'-P-C4' energy: -20.466
flat angles P-C4'-P energy: -12.394
tors. eta vs tors. theta energy: -4.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -105.307208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.307208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.307208 (E_RNA)
where:
Base-Base interactions energy: -39.215
where: short stacking energy: -27.419
Base-Backbone interact. energy: -0.356
local terms energy: -65.736231
where:
bonds (distance) C4'-P energy: -22.140
bonds (distance) P-C4' energy: -17.289
flat angles C4'-P-C4' energy: -13.627
flat angles P-C4'-P energy: -10.573
tors. eta vs tors. theta energy: -2.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -331.707394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.707394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.707394 (E_RNA)
where:
Base-Base interactions energy: -234.398
where: short stacking energy: -100.263
Base-Backbone interact. energy: -0.837
local terms energy: -96.471913
where:
bonds (distance) C4'-P energy: -19.865
bonds (distance) P-C4' energy: -16.008
flat angles C4'-P-C4' energy: -17.063
flat angles P-C4'-P energy: -16.808
tors. eta vs tors. theta energy: -26.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -314.776643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.776643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.776643 (E_RNA)
where:
Base-Base interactions energy: -210.978
where: short stacking energy: -86.259
Base-Backbone interact. energy: -0.132
local terms energy: -103.666087
where:
bonds (distance) C4'-P energy: -21.365
bonds (distance) P-C4' energy: -20.975
flat angles C4'-P-C4' energy: -22.893
flat angles P-C4'-P energy: -12.826
tors. eta vs tors. theta energy: -25.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -320.424356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.424356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.424356 (E_RNA)
where:
Base-Base interactions energy: -220.947
where: short stacking energy: -86.791
Base-Backbone interact. energy: -0.225
local terms energy: -99.252291
where:
bonds (distance) C4'-P energy: -19.579
bonds (distance) P-C4' energy: -22.739
flat angles C4'-P-C4' energy: -18.978
flat angles P-C4'-P energy: -10.750
tors. eta vs tors. theta energy: -27.207
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: 7
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -306.131242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.131242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.131242 (E_RNA)
where:
Base-Base interactions energy: -216.196
where: short stacking energy: -89.186
Base-Backbone interact. energy: -0.203
local terms energy: -89.731553
where:
bonds (distance) C4'-P energy: -18.845
bonds (distance) P-C4' energy: -15.317
flat angles C4'-P-C4' energy: -19.261
flat angles P-C4'-P energy: -14.196
tors. eta vs tors. theta energy: -22.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -289.811704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.811704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.811704 (E_RNA)
where:
Base-Base interactions energy: -193.006
where: short stacking energy: -78.550
Base-Backbone interact. energy: -0.443
local terms energy: -96.363496
where:
bonds (distance) C4'-P energy: -20.730
bonds (distance) P-C4' energy: -22.883
flat angles C4'-P-C4' energy: -22.621
flat angles P-C4'-P energy: -11.189
tors. eta vs tors. theta energy: -18.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -250.101742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.101742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.101742 (E_RNA)
where:
Base-Base interactions energy: -162.089
where: short stacking energy: -71.508
Base-Backbone interact. energy: -0.622
local terms energy: -87.391158
where:
bonds (distance) C4'-P energy: -14.281
bonds (distance) P-C4' energy: -23.748
flat angles C4'-P-C4' energy: -15.748
flat angles P-C4'-P energy: -13.350
tors. eta vs tors. theta energy: -20.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -187.032181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.032181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.032181 (E_RNA)
where:
Base-Base interactions energy: -113.547
where: short stacking energy: -59.537
Base-Backbone interact. energy: -0.766
local terms energy: -72.718192
where:
bonds (distance) C4'-P energy: -17.087
bonds (distance) P-C4' energy: -19.195
flat angles C4'-P-C4' energy: -12.241
flat angles P-C4'-P energy: -9.243
tors. eta vs tors. theta energy: -14.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -142.181576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.181576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.181576 (E_RNA)
where:
Base-Base interactions energy: -75.435
where: short stacking energy: -45.931
Base-Backbone interact. energy: -0.370
local terms energy: -66.376384
where:
bonds (distance) C4'-P energy: -15.896
bonds (distance) P-C4' energy: -20.006
flat angles C4'-P-C4' energy: -15.424
flat angles P-C4'-P energy: -8.223
tors. eta vs tors. theta energy: -6.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -108.172151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.172151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.172151 (E_RNA)
where:
Base-Base interactions energy: -44.605
where: short stacking energy: -34.539
Base-Backbone interact. energy: -0.203
local terms energy: -63.363975
where:
bonds (distance) C4'-P energy: -13.243
bonds (distance) P-C4' energy: -13.365
flat angles C4'-P-C4' energy: -21.419
flat angles P-C4'-P energy: -12.656
tors. eta vs tors. theta energy: -2.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -95.947044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.947044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.947044 (E_RNA)
where:
Base-Base interactions energy: -32.265
where: short stacking energy: -19.939
Base-Backbone interact. energy: -0.376
local terms energy: -63.305926
where:
bonds (distance) C4'-P energy: -18.548
bonds (distance) P-C4' energy: -13.180
flat angles C4'-P-C4' energy: -15.772
flat angles P-C4'-P energy: -16.529
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: 1, replica: 3
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -333.286399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.286399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.286399 (E_RNA)
where:
Base-Base interactions energy: -226.914
where: short stacking energy: -100.065
Base-Backbone interact. energy: -0.778
local terms energy: -105.594497
where:
bonds (distance) C4'-P energy: -21.214
bonds (distance) P-C4' energy: -19.580
flat angles C4'-P-C4' energy: -20.655
flat angles P-C4'-P energy: -16.528
tors. eta vs tors. theta energy: -27.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -325.580583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.580583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.580583 (E_RNA)
where:
Base-Base interactions energy: -217.883
where: short stacking energy: -93.348
Base-Backbone interact. energy: -0.094
local terms energy: -107.604130
where:
bonds (distance) C4'-P energy: -20.883
bonds (distance) P-C4' energy: -19.610
flat angles C4'-P-C4' energy: -21.793
flat angles P-C4'-P energy: -15.997
tors. eta vs tors. theta energy: -29.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -317.786378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.786378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.786378 (E_RNA)
where:
Base-Base interactions energy: -216.290
where: short stacking energy: -87.802
Base-Backbone interact. energy: -0.221
local terms energy: -101.275493
where:
bonds (distance) C4'-P energy: -21.722
bonds (distance) P-C4' energy: -23.276
flat angles C4'-P-C4' energy: -22.743
flat angles P-C4'-P energy: -15.578
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: 4, replica: 7
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -306.338734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.338734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.338734 (E_RNA)
where:
Base-Base interactions energy: -209.555
where: short stacking energy: -91.990
Base-Backbone interact. energy: -0.343
local terms energy: -96.440796
where:
bonds (distance) C4'-P energy: -22.977
bonds (distance) P-C4' energy: -10.586
flat angles C4'-P-C4' energy: -24.044
flat angles P-C4'-P energy: -12.910
tors. eta vs tors. theta energy: -25.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -275.152876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.152876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.152876 (E_RNA)
where:
Base-Base interactions energy: -193.595
where: short stacking energy: -79.692
Base-Backbone interact. energy: -0.313
local terms energy: -81.245126
where:
bonds (distance) C4'-P energy: -18.026
bonds (distance) P-C4' energy: -17.644
flat angles C4'-P-C4' energy: -12.344
flat angles P-C4'-P energy: -12.565
tors. eta vs tors. theta energy: -20.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -246.064651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.064651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.064651 (E_RNA)
where:
Base-Base interactions energy: -157.426
where: short stacking energy: -69.677
Base-Backbone interact. energy: -0.379
local terms energy: -88.259185
where:
bonds (distance) C4'-P energy: -15.653
bonds (distance) P-C4' energy: -17.757
flat angles C4'-P-C4' energy: -19.310
flat angles P-C4'-P energy: -17.092
tors. eta vs tors. theta energy: -18.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -205.184089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.184089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.184089 (E_RNA)
where:
Base-Base interactions energy: -123.382
where: short stacking energy: -63.607
Base-Backbone interact. energy: -0.118
local terms energy: -81.683473
where:
bonds (distance) C4'-P energy: -21.314
bonds (distance) P-C4' energy: -17.177
flat angles C4'-P-C4' energy: -17.813
flat angles P-C4'-P energy: -13.067
tors. eta vs tors. theta energy: -12.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -176.463315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.463315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.463315 (E_RNA)
where:
Base-Base interactions energy: -115.027
where: short stacking energy: -57.612
Base-Backbone interact. energy: -0.232
local terms energy: -61.204269
where:
bonds (distance) C4'-P energy: -10.294
bonds (distance) P-C4' energy: -16.964
flat angles C4'-P-C4' energy: -16.319
flat angles P-C4'-P energy: -15.135
tors. eta vs tors. theta energy: -2.492
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: 9, replica: 4
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -107.245023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.245023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.245023 (E_RNA)
where:
Base-Base interactions energy: -38.663
where: short stacking energy: -30.898
Base-Backbone interact. energy: -0.150
local terms energy: -68.431674
where:
bonds (distance) C4'-P energy: -17.112
bonds (distance) P-C4' energy: -19.982
flat angles C4'-P-C4' energy: -16.782
flat angles P-C4'-P energy: -11.933
tors. eta vs tors. theta energy: -2.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -115.420134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.420134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.420134 (E_RNA)
where:
Base-Base interactions energy: -63.586
where: short stacking energy: -31.901
Base-Backbone interact. energy: 1.096
local terms energy: -52.930040
where:
bonds (distance) C4'-P energy: -18.261
bonds (distance) P-C4' energy: -13.155
flat angles C4'-P-C4' energy: -14.554
flat angles P-C4'-P energy: -8.921
tors. eta vs tors. theta energy: 1.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -332.037748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.037748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.037748 (E_RNA)
where:
Base-Base interactions energy: -224.408
where: short stacking energy: -101.629
Base-Backbone interact. energy: -0.233
local terms energy: -107.396581
where:
bonds (distance) C4'-P energy: -21.089
bonds (distance) P-C4' energy: -19.728
flat angles C4'-P-C4' energy: -21.658
flat angles P-C4'-P energy: -13.179
tors. eta vs tors. theta energy: -31.743
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: 2, replica: 6
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -324.063895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.063895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.063895 (E_RNA)
where:
Base-Base interactions energy: -226.105
where: short stacking energy: -85.202
Base-Backbone interact. energy: 0.071
local terms energy: -98.030664
where:
bonds (distance) C4'-P energy: -17.399
bonds (distance) P-C4' energy: -20.522
flat angles C4'-P-C4' energy: -23.803
flat angles P-C4'-P energy: -12.197
tors. eta vs tors. theta energy: -24.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -321.262777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.262777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.262777 (E_RNA)
where:
Base-Base interactions energy: -220.141
where: short stacking energy: -95.822
Base-Backbone interact. energy: -0.323
local terms energy: -100.798692
where:
bonds (distance) C4'-P energy: -19.122
bonds (distance) P-C4' energy: -20.115
flat angles C4'-P-C4' energy: -20.058
flat angles P-C4'-P energy: -13.217
tors. eta vs tors. theta energy: -28.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -314.814680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.814680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.814680 (E_RNA)
where:
Base-Base interactions energy: -219.282
where: short stacking energy: -95.821
Base-Backbone interact. energy: -0.854
local terms energy: -94.678408
where:
bonds (distance) C4'-P energy: -17.039
bonds (distance) P-C4' energy: -16.839
flat angles C4'-P-C4' energy: -22.894
flat angles P-C4'-P energy: -12.186
tors. eta vs tors. theta energy: -25.720
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: 5, replica: 10
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -272.841467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.841467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.841467 (E_RNA)
where:
Base-Base interactions energy: -174.282
where: short stacking energy: -72.928
Base-Backbone interact. energy: -0.358
local terms energy: -98.201735
where:
bonds (distance) C4'-P energy: -20.133
bonds (distance) P-C4' energy: -20.309
flat angles C4'-P-C4' energy: -20.065
flat angles P-C4'-P energy: -17.822
tors. eta vs tors. theta energy: -19.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -251.640306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.640306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.640306 (E_RNA)
where:
Base-Base interactions energy: -163.295
where: short stacking energy: -80.587
Base-Backbone interact. energy: -0.166
local terms energy: -88.179233
where:
bonds (distance) C4'-P energy: -18.936
bonds (distance) P-C4' energy: -14.872
flat angles C4'-P-C4' energy: -16.527
flat angles P-C4'-P energy: -14.378
tors. eta vs tors. theta energy: -23.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -184.638143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.638143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.638143 (E_RNA)
where:
Base-Base interactions energy: -121.239
where: short stacking energy: -57.245
Base-Backbone interact. energy: -0.890
local terms energy: -62.509474
where:
bonds (distance) C4'-P energy: -16.484
bonds (distance) P-C4' energy: -12.968
flat angles C4'-P-C4' energy: -11.898
flat angles P-C4'-P energy: -8.731
tors. eta vs tors. theta energy: -12.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -168.960980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.960980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.960980 (E_RNA)
where:
Base-Base interactions energy: -107.197
where: short stacking energy: -52.199
Base-Backbone interact. energy: -0.129
local terms energy: -61.634697
where:
bonds (distance) C4'-P energy: -19.089
bonds (distance) P-C4' energy: -20.027
flat angles C4'-P-C4' energy: -19.531
flat angles P-C4'-P energy: 1.978
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: 9, replica: 4
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -114.190852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.190852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.190852 (E_RNA)
where:
Base-Base interactions energy: -40.118
where: short stacking energy: -40.118
Base-Backbone interact. energy: -0.256
local terms energy: -73.817130
where:
bonds (distance) C4'-P energy: -19.108
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -19.756
flat angles P-C4'-P energy: -9.536
tors. eta vs tors. theta energy: -9.086
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: 10, replica: 5
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -98.676208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.676208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.676208 (E_RNA)
where:
Base-Base interactions energy: -36.456
where: short stacking energy: -30.313
Base-Backbone interact. energy: 0.123
local terms energy: -62.344000
where:
bonds (distance) C4'-P energy: -14.208
bonds (distance) P-C4' energy: -21.095
flat angles C4'-P-C4' energy: -18.057
flat angles P-C4'-P energy: -7.618
tors. eta vs tors. theta energy: -1.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -329.720167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.720167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.720167 (E_RNA)
where:
Base-Base interactions energy: -230.037
where: short stacking energy: -97.686
Base-Backbone interact. energy: -0.056
local terms energy: -99.627086
where:
bonds (distance) C4'-P energy: -18.052
bonds (distance) P-C4' energy: -22.010
flat angles C4'-P-C4' energy: -20.933
flat angles P-C4'-P energy: -14.839
tors. eta vs tors. theta energy: -23.793
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: 3
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -316.288610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.288610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.288610 (E_RNA)
where:
Base-Base interactions energy: -219.043
where: short stacking energy: -91.443
Base-Backbone interact. energy: -0.560
local terms energy: -96.685182
where:
bonds (distance) C4'-P energy: -14.547
bonds (distance) P-C4' energy: -22.046
flat angles C4'-P-C4' energy: -21.087
flat angles P-C4'-P energy: -14.563
tors. eta vs tors. theta energy: -24.442
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: 2
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -321.370448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.370448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.370448 (E_RNA)
where:
Base-Base interactions energy: -217.655
where: short stacking energy: -93.620
Base-Backbone interact. energy: -0.118
local terms energy: -103.598023
where:
bonds (distance) C4'-P energy: -17.476
bonds (distance) P-C4' energy: -21.472
flat angles C4'-P-C4' energy: -20.720
flat angles P-C4'-P energy: -17.408
tors. eta vs tors. theta energy: -26.523
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: 7
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -319.922004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.922004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.922004 (E_RNA)
where:
Base-Base interactions energy: -221.027
where: short stacking energy: -100.341
Base-Backbone interact. energy: -0.118
local terms energy: -98.776778
where:
bonds (distance) C4'-P energy: -13.951
bonds (distance) P-C4' energy: -22.306
flat angles C4'-P-C4' energy: -21.569
flat angles P-C4'-P energy: -14.914
tors. eta vs tors. theta energy: -26.037
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: 10
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -267.187189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.187189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.187189 (E_RNA)
where:
Base-Base interactions energy: -175.458
where: short stacking energy: -79.358
Base-Backbone interact. energy: -0.120
local terms energy: -91.609170
where:
bonds (distance) C4'-P energy: -19.222
bonds (distance) P-C4' energy: -18.553
flat angles C4'-P-C4' energy: -16.424
flat angles P-C4'-P energy: -14.306
tors. eta vs tors. theta energy: -23.102
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: 8
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -237.859682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.859682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.859682 (E_RNA)
where:
Base-Base interactions energy: -158.743
where: short stacking energy: -65.935
Base-Backbone interact. energy: -0.321
local terms energy: -78.795833
where:
bonds (distance) C4'-P energy: -18.924
bonds (distance) P-C4' energy: -16.563
flat angles C4'-P-C4' energy: -17.644
flat angles P-C4'-P energy: -13.360
tors. eta vs tors. theta energy: -12.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -183.032550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.032550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.032550 (E_RNA)
where:
Base-Base interactions energy: -103.944
where: short stacking energy: -53.243
Base-Backbone interact. energy: -0.264
local terms energy: -78.824065
where:
bonds (distance) C4'-P energy: -22.231
bonds (distance) P-C4' energy: -16.243
flat angles C4'-P-C4' energy: -18.742
flat angles P-C4'-P energy: -7.452
tors. eta vs tors. theta energy: -14.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -152.200020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.200020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.200020 (E_RNA)
where:
Base-Base interactions energy: -92.688
where: short stacking energy: -45.526
Base-Backbone interact. energy: 1.423
local terms energy: -60.935031
where:
bonds (distance) C4'-P energy: -19.627
bonds (distance) P-C4' energy: -12.718
flat angles C4'-P-C4' energy: -16.039
flat angles P-C4'-P energy: -12.305
tors. eta vs tors. theta energy: -0.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -108.677477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.677477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.677477 (E_RNA)
where:
Base-Base interactions energy: -44.722
where: short stacking energy: -29.206
Base-Backbone interact. energy: 0.908
local terms energy: -64.862874
where:
bonds (distance) C4'-P energy: -21.138
bonds (distance) P-C4' energy: -17.147
flat angles C4'-P-C4' energy: -22.892
flat angles P-C4'-P energy: -4.551
tors. eta vs tors. theta energy: 0.865
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: 4
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -96.311690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.311690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.311690 (E_RNA)
where:
Base-Base interactions energy: -35.845
where: short stacking energy: -27.292
Base-Backbone interact. energy: 2.128
local terms energy: -62.595063
where:
bonds (distance) C4'-P energy: -16.778
bonds (distance) P-C4' energy: -23.952
flat angles C4'-P-C4' energy: -9.417
flat angles P-C4'-P energy: -7.757
tors. eta vs tors. theta energy: -4.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -333.851682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.851682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.851682 (E_RNA)
where:
Base-Base interactions energy: -230.600
where: short stacking energy: -98.561
Base-Backbone interact. energy: -0.738
local terms energy: -102.513802
where:
bonds (distance) C4'-P energy: -19.269
bonds (distance) P-C4' energy: -16.459
flat angles C4'-P-C4' energy: -21.171
flat angles P-C4'-P energy: -15.887
tors. eta vs tors. theta energy: -29.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -314.638716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.638716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.638716 (E_RNA)
where:
Base-Base interactions energy: -220.304
where: short stacking energy: -82.635
Base-Backbone interact. energy: 0.480
local terms energy: -94.814823
where:
bonds (distance) C4'-P energy: -20.388
bonds (distance) P-C4' energy: -19.499
flat angles C4'-P-C4' energy: -19.364
flat angles P-C4'-P energy: -14.920
tors. eta vs tors. theta energy: -20.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -306.454564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.454564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.454564 (E_RNA)
where:
Base-Base interactions energy: -214.400
where: short stacking energy: -88.315
Base-Backbone interact. energy: -0.241
local terms energy: -91.813664
where:
bonds (distance) C4'-P energy: -19.131
bonds (distance) P-C4' energy: -17.139
flat angles C4'-P-C4' energy: -22.989
flat angles P-C4'-P energy: -13.079
tors. eta vs tors. theta energy: -19.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -308.449390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.449390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.449390 (E_RNA)
where:
Base-Base interactions energy: -208.656
where: short stacking energy: -89.141
Base-Backbone interact. energy: -0.872
local terms energy: -98.921327
where:
bonds (distance) C4'-P energy: -17.024
bonds (distance) P-C4' energy: -20.443
flat angles C4'-P-C4' energy: -21.373
flat angles P-C4'-P energy: -12.585
tors. eta vs tors. theta energy: -27.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -257.077203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.077203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.077203 (E_RNA)
where:
Base-Base interactions energy: -179.442
where: short stacking energy: -73.723
Base-Backbone interact. energy: 1.131
local terms energy: -78.765926
where:
bonds (distance) C4'-P energy: -14.063
bonds (distance) P-C4' energy: -16.554
flat angles C4'-P-C4' energy: -19.054
flat angles P-C4'-P energy: -14.399
tors. eta vs tors. theta energy: -14.696
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: 435
Temperature: 1.150000
Total energy: -255.548878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.548878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.548878 (E_RNA)
where:
Base-Base interactions energy: -175.164
where: short stacking energy: -75.641
Base-Backbone interact. energy: -0.301
local terms energy: -80.083706
where:
bonds (distance) C4'-P energy: -17.309
bonds (distance) P-C4' energy: -13.186
flat angles C4'-P-C4' energy: -19.973
flat angles P-C4'-P energy: -13.212
tors. eta vs tors. theta energy: -16.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -193.699179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.699179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.699179 (E_RNA)
where:
Base-Base interactions energy: -115.604
where: short stacking energy: -62.465
Base-Backbone interact. energy: -0.170
local terms energy: -77.925264
where:
bonds (distance) C4'-P energy: -15.793
bonds (distance) P-C4' energy: -19.409
flat angles C4'-P-C4' energy: -17.514
flat angles P-C4'-P energy: -9.837
tors. eta vs tors. theta energy: -15.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -145.304125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.304125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.304125 (E_RNA)
where:
Base-Base interactions energy: -78.610
where: short stacking energy: -62.247
Base-Backbone interact. energy: -0.167
local terms energy: -66.526285
where:
bonds (distance) C4'-P energy: -10.908
bonds (distance) P-C4' energy: -21.926
flat angles C4'-P-C4' energy: -15.536
flat angles P-C4'-P energy: -10.622
tors. eta vs tors. theta energy: -7.534
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: 5
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -108.873896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.873896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.873896 (E_RNA)
where:
Base-Base interactions energy: -43.707
where: short stacking energy: -34.434
Base-Backbone interact. energy: -0.973
local terms energy: -64.194242
where:
bonds (distance) C4'-P energy: -18.506
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -14.399
flat angles P-C4'-P energy: -12.605
tors. eta vs tors. theta energy: -2.453
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: 10, replica: 4
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -96.903094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.903094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.903094 (E_RNA)
where:
Base-Base interactions energy: -34.037
where: short stacking energy: -31.330
Base-Backbone interact. energy: 0.798
local terms energy: -63.664696
where:
bonds (distance) C4'-P energy: -13.074
bonds (distance) P-C4' energy: -20.570
flat angles C4'-P-C4' energy: -15.073
flat angles P-C4'-P energy: -12.176
tors. eta vs tors. theta energy: -2.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -334.809450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.809450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.809450 (E_RNA)
where:
Base-Base interactions energy: -227.369
where: short stacking energy: -90.159
Base-Backbone interact. energy: -0.831
local terms energy: -106.609571
where:
bonds (distance) C4'-P energy: -21.996
bonds (distance) P-C4' energy: -16.044
flat angles C4'-P-C4' energy: -23.270
flat angles P-C4'-P energy: -17.939
tors. eta vs tors. theta energy: -27.362
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: 2, replica: 2
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -327.429888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.429888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.429888 (E_RNA)
where:
Base-Base interactions energy: -221.143
where: short stacking energy: -96.967
Base-Backbone interact. energy: -0.341
local terms energy: -105.945213
where:
bonds (distance) C4'-P energy: -20.522
bonds (distance) P-C4' energy: -19.628
flat angles C4'-P-C4' energy: -21.393
flat angles P-C4'-P energy: -18.113
tors. eta vs tors. theta energy: -26.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -317.956802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.956802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.956802 (E_RNA)
where:
Base-Base interactions energy: -220.000
where: short stacking energy: -90.233
Base-Backbone interact. energy: 3.410
local terms energy: -101.366695
where:
bonds (distance) C4'-P energy: -19.201
bonds (distance) P-C4' energy: -18.261
flat angles C4'-P-C4' energy: -21.537
flat angles P-C4'-P energy: -15.211
tors. eta vs tors. theta energy: -27.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -293.714445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.714445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.714445 (E_RNA)
where:
Base-Base interactions energy: -198.650
where: short stacking energy: -79.282
Base-Backbone interact. energy: 0.831
local terms energy: -95.895410
where:
bonds (distance) C4'-P energy: -18.821
bonds (distance) P-C4' energy: -23.937
flat angles C4'-P-C4' energy: -19.093
flat angles P-C4'-P energy: -14.488
tors. eta vs tors. theta energy: -19.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -268.008563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.008563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.008563 (E_RNA)
where:
Base-Base interactions energy: -166.310
where: short stacking energy: -79.261
Base-Backbone interact. energy: -0.259
local terms energy: -101.439544
where:
bonds (distance) C4'-P energy: -17.330
bonds (distance) P-C4' energy: -22.420
flat angles C4'-P-C4' energy: -20.277
flat angles P-C4'-P energy: -14.753
tors. eta vs tors. theta energy: -26.660
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: 8
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -272.487497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.487497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.487497 (E_RNA)
where:
Base-Base interactions energy: -187.391
where: short stacking energy: -79.475
Base-Backbone interact. energy: -0.225
local terms energy: -84.871552
where:
bonds (distance) C4'-P energy: -13.766
bonds (distance) P-C4' energy: -17.431
flat angles C4'-P-C4' energy: -17.725
flat angles P-C4'-P energy: -13.295
tors. eta vs tors. theta energy: -22.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -192.726560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.726560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.726560 (E_RNA)
where:
Base-Base interactions energy: -118.681
where: short stacking energy: -65.826
Base-Backbone interact. energy: -0.115
local terms energy: -73.930465
where:
bonds (distance) C4'-P energy: -11.708
bonds (distance) P-C4' energy: -18.696
flat angles C4'-P-C4' energy: -14.320
flat angles P-C4'-P energy: -10.835
tors. eta vs tors. theta energy: -18.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -103.230518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.230518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.230518 (E_RNA)
where:
Base-Base interactions energy: -50.735
where: short stacking energy: -34.563
Base-Backbone interact. energy: 0.160
local terms energy: -52.655257
where:
bonds (distance) C4'-P energy: -13.318
bonds (distance) P-C4' energy: -17.983
flat angles C4'-P-C4' energy: -9.000
flat angles P-C4'-P energy: -11.127
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: 9, replica: 5
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -117.517380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.517380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.517380 (E_RNA)
where:
Base-Base interactions energy: -51.232
where: short stacking energy: -38.796
Base-Backbone interact. energy: -0.263
local terms energy: -66.022287
where:
bonds (distance) C4'-P energy: -16.978
bonds (distance) P-C4' energy: -21.077
flat angles C4'-P-C4' energy: -12.430
flat angles P-C4'-P energy: -13.937
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: 4
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -105.197338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.197338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.197338 (E_RNA)
where:
Base-Base interactions energy: -42.316
where: short stacking energy: -37.082
Base-Backbone interact. energy: -0.712
local terms energy: -62.170156
where:
bonds (distance) C4'-P energy: -14.810
bonds (distance) P-C4' energy: -17.990
flat angles C4'-P-C4' energy: -16.947
flat angles P-C4'-P energy: -11.459
tors. eta vs tors. theta energy: -0.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -333.864923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.864923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.864923 (E_RNA)
where:
Base-Base interactions energy: -227.318
where: short stacking energy: -95.321
Base-Backbone interact. energy: 0.684
local terms energy: -107.231393
where:
bonds (distance) C4'-P energy: -22.852
bonds (distance) P-C4' energy: -19.846
flat angles C4'-P-C4' energy: -21.395
flat angles P-C4'-P energy: -16.141
tors. eta vs tors. theta energy: -26.997
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: 2, replica: 7
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -321.721837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.721837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.721837 (E_RNA)
where:
Base-Base interactions energy: -216.925
where: short stacking energy: -96.961
Base-Backbone interact. energy: -0.177
local terms energy: -104.619935
where:
bonds (distance) C4'-P energy: -19.695
bonds (distance) P-C4' energy: -23.187
flat angles C4'-P-C4' energy: -21.014
flat angles P-C4'-P energy: -12.618
tors. eta vs tors. theta energy: -28.106
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: 3, replica: 2
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -330.923954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.923954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.923954 (E_RNA)
where:
Base-Base interactions energy: -231.404
where: short stacking energy: -100.252
Base-Backbone interact. energy: 0.642
local terms energy: -100.161447
where:
bonds (distance) C4'-P energy: -17.354
bonds (distance) P-C4' energy: -18.150
flat angles C4'-P-C4' energy: -21.770
flat angles P-C4'-P energy: -13.878
tors. eta vs tors. theta energy: -29.010
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: 3
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -303.667410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.667410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.667410 (E_RNA)
where:
Base-Base interactions energy: -204.294
where: short stacking energy: -90.235
Base-Backbone interact. energy: -0.199
local terms energy: -99.174272
where:
bonds (distance) C4'-P energy: -18.341
bonds (distance) P-C4' energy: -16.784
flat angles C4'-P-C4' energy: -23.184
flat angles P-C4'-P energy: -18.432
tors. eta vs tors. theta energy: -22.433
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: 10
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -269.624852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.624852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.624852 (E_RNA)
where:
Base-Base interactions energy: -178.497
where: short stacking energy: -84.229
Base-Backbone interact. energy: -0.380
local terms energy: -90.747513
where:
bonds (distance) C4'-P energy: -18.978
bonds (distance) P-C4' energy: -16.161
flat angles C4'-P-C4' energy: -19.248
flat angles P-C4'-P energy: -10.079
tors. eta vs tors. theta energy: -26.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -268.937232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.937232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.937232 (E_RNA)
where:
Base-Base interactions energy: -185.539
where: short stacking energy: -68.094
Base-Backbone interact. energy: -0.791
local terms energy: -82.607648
where:
bonds (distance) C4'-P energy: -18.596
bonds (distance) P-C4' energy: -20.050
flat angles C4'-P-C4' energy: -15.359
flat angles P-C4'-P energy: -11.702
tors. eta vs tors. theta energy: -16.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -164.478571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.478571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.478571 (E_RNA)
where:
Base-Base interactions energy: -90.827
where: short stacking energy: -52.111
Base-Backbone interact. energy: -0.011
local terms energy: -73.640353
where:
bonds (distance) C4'-P energy: -15.806
bonds (distance) P-C4' energy: -15.371
flat angles C4'-P-C4' energy: -17.541
flat angles P-C4'-P energy: -13.894
tors. eta vs tors. theta energy: -11.028
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: 8, replica: 5
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -107.189282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.189282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.189282 (E_RNA)
where:
Base-Base interactions energy: -44.059
where: short stacking energy: -33.607
Base-Backbone interact. energy: -0.342
local terms energy: -62.788014
where:
bonds (distance) C4'-P energy: -16.676
bonds (distance) P-C4' energy: -20.013
flat angles C4'-P-C4' energy: -8.875
flat angles P-C4'-P energy: -13.716
tors. eta vs tors. theta energy: -3.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -115.490959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.490959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.490959 (E_RNA)
where:
Base-Base interactions energy: -43.563
where: short stacking energy: -43.563
Base-Backbone interact. energy: -0.070
local terms energy: -71.857763
where:
bonds (distance) C4'-P energy: -14.627
bonds (distance) P-C4' energy: -19.583
flat angles C4'-P-C4' energy: -23.650
flat angles P-C4'-P energy: -3.758
tors. eta vs tors. theta energy: -10.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -111.385377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.385377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.385377 (E_RNA)
where:
Base-Base interactions energy: -42.279
where: short stacking energy: -35.350
Base-Backbone interact. energy: -0.646
local terms energy: -68.460853
where:
bonds (distance) C4'-P energy: -21.009
bonds (distance) P-C4' energy: -17.816
flat angles C4'-P-C4' energy: -17.656
flat angles P-C4'-P energy: -9.250
tors. eta vs tors. theta energy: -2.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -335.486421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.486421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.486421 (E_RNA)
where:
Base-Base interactions energy: -232.748
where: short stacking energy: -97.150
Base-Backbone interact. energy: -0.786
local terms energy: -101.952645
where:
bonds (distance) C4'-P energy: -20.050
bonds (distance) P-C4' energy: -21.130
flat angles C4'-P-C4' energy: -20.699
flat angles P-C4'-P energy: -14.717
tors. eta vs tors. theta energy: -25.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -319.133436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.133436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.133436 (E_RNA)
where:
Base-Base interactions energy: -213.413
where: short stacking energy: -95.469
Base-Backbone interact. energy: -0.199
local terms energy: -105.521848
where:
bonds (distance) C4'-P energy: -19.724
bonds (distance) P-C4' energy: -19.776
flat angles C4'-P-C4' energy: -23.647
flat angles P-C4'-P energy: -13.814
tors. eta vs tors. theta energy: -28.562
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: 2
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -323.621558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.621558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.621558 (E_RNA)
where:
Base-Base interactions energy: -221.523
where: short stacking energy: -96.703
Base-Backbone interact. energy: 2.658
local terms energy: -104.757025
where:
bonds (distance) C4'-P energy: -18.602
bonds (distance) P-C4' energy: -17.356
flat angles C4'-P-C4' energy: -21.736
flat angles P-C4'-P energy: -19.419
tors. eta vs tors. theta energy: -27.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -317.690941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.690941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.690941 (E_RNA)
where:
Base-Base interactions energy: -222.263
where: short stacking energy: -100.287
Base-Backbone interact. energy: -0.067
local terms energy: -95.361182
where:
bonds (distance) C4'-P energy: -20.414
bonds (distance) P-C4' energy: -14.989
flat angles C4'-P-C4' energy: -21.492
flat angles P-C4'-P energy: -13.770
tors. eta vs tors. theta energy: -24.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -264.930204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.930204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.930204 (E_RNA)
where:
Base-Base interactions energy: -188.663
where: short stacking energy: -75.834
Base-Backbone interact. energy: -0.114
local terms energy: -76.152728
where:
bonds (distance) C4'-P energy: -10.097
bonds (distance) P-C4' energy: -16.367
flat angles C4'-P-C4' energy: -18.403
flat angles P-C4'-P energy: -9.394
tors. eta vs tors. theta energy: -21.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -268.416212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.416212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.416212 (E_RNA)
where:
Base-Base interactions energy: -174.353
where: short stacking energy: -72.093
Base-Backbone interact. energy: -0.320
local terms energy: -93.743766
where:
bonds (distance) C4'-P energy: -20.081
bonds (distance) P-C4' energy: -19.424
flat angles C4'-P-C4' energy: -20.184
flat angles P-C4'-P energy: -13.995
tors. eta vs tors. theta energy: -20.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -171.010040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.010040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.010040 (E_RNA)
where:
Base-Base interactions energy: -93.757
where: short stacking energy: -48.644
Base-Backbone interact. energy: -0.565
local terms energy: -76.688090
where:
bonds (distance) C4'-P energy: -17.225
bonds (distance) P-C4' energy: -23.315
flat angles C4'-P-C4' energy: -19.961
flat angles P-C4'-P energy: -3.673
tors. eta vs tors. theta energy: -12.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -116.640724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.640724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.640724 (E_RNA)
where:
Base-Base interactions energy: -53.155
where: short stacking energy: -45.013
Base-Backbone interact. energy: -0.570
local terms energy: -62.915278
where:
bonds (distance) C4'-P energy: -14.231
bonds (distance) P-C4' energy: -20.391
flat angles C4'-P-C4' energy: -10.621
flat angles P-C4'-P energy: -10.973
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: 9, replica: 4
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -98.711788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.711788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.711788 (E_RNA)
where:
Base-Base interactions energy: -30.173
where: short stacking energy: -27.928
Base-Backbone interact. energy: -0.849
local terms energy: -67.690042
where:
bonds (distance) C4'-P energy: -20.432
bonds (distance) P-C4' energy: -22.084
flat angles C4'-P-C4' energy: -10.660
flat angles P-C4'-P energy: -13.387
tors. eta vs tors. theta energy: -1.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -108.429114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.429114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.429114 (E_RNA)
where:
Base-Base interactions energy: -41.781
where: short stacking energy: -27.363
Base-Backbone interact. energy: -0.473
local terms energy: -66.174873
where:
bonds (distance) C4'-P energy: -18.782
bonds (distance) P-C4' energy: -14.372
flat angles C4'-P-C4' energy: -18.252
flat angles P-C4'-P energy: -11.122
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: 6
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -331.706042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.706042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.706042 (E_RNA)
where:
Base-Base interactions energy: -233.202
where: short stacking energy: -94.010
Base-Backbone interact. energy: -0.554
local terms energy: -97.949832
where:
bonds (distance) C4'-P energy: -21.100
bonds (distance) P-C4' energy: -18.449
flat angles C4'-P-C4' energy: -20.435
flat angles P-C4'-P energy: -16.117
tors. eta vs tors. theta energy: -21.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -309.163507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.163507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.163507 (E_RNA)
where:
Base-Base interactions energy: -209.814
where: short stacking energy: -89.705
Base-Backbone interact. energy: -0.767
local terms energy: -98.582617
where:
bonds (distance) C4'-P energy: -18.232
bonds (distance) P-C4' energy: -18.369
flat angles C4'-P-C4' energy: -23.161
flat angles P-C4'-P energy: -14.398
tors. eta vs tors. theta energy: -24.424
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: 3, replica: 7
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -319.418348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.418348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.418348 (E_RNA)
where:
Base-Base interactions energy: -223.485
where: short stacking energy: -96.033
Base-Backbone interact. energy: -0.069
local terms energy: -95.864157
where:
bonds (distance) C4'-P energy: -15.826
bonds (distance) P-C4' energy: -19.892
flat angles C4'-P-C4' energy: -20.863
flat angles P-C4'-P energy: -12.720
tors. eta vs tors. theta energy: -26.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -324.163248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.163248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.163248 (E_RNA)
where:
Base-Base interactions energy: -220.058
where: short stacking energy: -98.455
Base-Backbone interact. energy: -0.554
local terms energy: -103.551210
where:
bonds (distance) C4'-P energy: -20.836
bonds (distance) P-C4' energy: -17.785
flat angles C4'-P-C4' energy: -23.812
flat angles P-C4'-P energy: -12.859
tors. eta vs tors. theta energy: -28.258
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: 5, replica: 10
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -257.646738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.646738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.646738 (E_RNA)
where:
Base-Base interactions energy: -172.172
where: short stacking energy: -63.027
Base-Backbone interact. energy: -0.391
local terms energy: -85.084118
where:
bonds (distance) C4'-P energy: -17.797
bonds (distance) P-C4' energy: -20.148
flat angles C4'-P-C4' energy: -19.731
flat angles P-C4'-P energy: -8.520
tors. eta vs tors. theta energy: -18.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -265.273015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.273015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.273015 (E_RNA)
where:
Base-Base interactions energy: -183.053
where: short stacking energy: -76.531
Base-Backbone interact. energy: 0.047
local terms energy: -82.267480
where:
bonds (distance) C4'-P energy: -13.431
bonds (distance) P-C4' energy: -16.420
flat angles C4'-P-C4' energy: -19.812
flat angles P-C4'-P energy: -11.312
tors. eta vs tors. theta energy: -21.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -183.790345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.790345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.790345 (E_RNA)
where:
Base-Base interactions energy: -103.487
where: short stacking energy: -58.541
Base-Backbone interact. energy: 0.755
local terms energy: -81.058031
where:
bonds (distance) C4'-P energy: -21.168
bonds (distance) P-C4' energy: -16.447
flat angles C4'-P-C4' energy: -22.588
flat angles P-C4'-P energy: -8.631
tors. eta vs tors. theta energy: -12.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -108.104811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.104811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.104811 (E_RNA)
where:
Base-Base interactions energy: -37.114
where: short stacking energy: -37.114
Base-Backbone interact. energy: -0.014
local terms energy: -70.976692
where:
bonds (distance) C4'-P energy: -17.877
bonds (distance) P-C4' energy: -20.046
flat angles C4'-P-C4' energy: -19.479
flat angles P-C4'-P energy: -10.288
tors. eta vs tors. theta energy: -3.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -125.806191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.806191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.806191 (E_RNA)
where:
Base-Base interactions energy: -55.012
where: short stacking energy: -27.828
Base-Backbone interact. energy: -0.273
local terms energy: -70.521214
where:
bonds (distance) C4'-P energy: -18.464
bonds (distance) P-C4' energy: -16.720
flat angles C4'-P-C4' energy: -19.001
flat angles P-C4'-P energy: -14.719
tors. eta vs tors. theta energy: -1.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -96.205488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.205488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.205488 (E_RNA)
where:
Base-Base interactions energy: -39.598
where: short stacking energy: -39.598
Base-Backbone interact. energy: 1.857
local terms energy: -58.465029
where:
bonds (distance) C4'-P energy: -16.774
bonds (distance) P-C4' energy: -18.328
flat angles C4'-P-C4' energy: -14.298
flat angles P-C4'-P energy: -9.558
tors. eta vs tors. theta energy: 0.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -325.155332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.155332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.155332 (E_RNA)
where:
Base-Base interactions energy: -220.062
where: short stacking energy: -95.412
Base-Backbone interact. energy: 0.446
local terms energy: -105.539455
where:
bonds (distance) C4'-P energy: -19.549
bonds (distance) P-C4' energy: -21.035
flat angles C4'-P-C4' energy: -20.613
flat angles P-C4'-P energy: -16.316
tors. eta vs tors. theta energy: -28.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -324.224751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.224751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.224751 (E_RNA)
where:
Base-Base interactions energy: -226.923
where: short stacking energy: -91.396
Base-Backbone interact. energy: -0.329
local terms energy: -96.972379
where:
bonds (distance) C4'-P energy: -18.155
bonds (distance) P-C4' energy: -17.210
flat angles C4'-P-C4' energy: -22.040
flat angles P-C4'-P energy: -13.317
tors. eta vs tors. theta energy: -26.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -312.126304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.126304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.126304 (E_RNA)
where:
Base-Base interactions energy: -209.699
where: short stacking energy: -87.068
Base-Backbone interact. energy: 0.124
local terms energy: -102.551329
where:
bonds (distance) C4'-P energy: -19.063
bonds (distance) P-C4' energy: -20.874
flat angles C4'-P-C4' energy: -23.353
flat angles P-C4'-P energy: -12.926
tors. eta vs tors. theta energy: -26.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -321.094514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.094514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.094514 (E_RNA)
where:
Base-Base interactions energy: -220.200
where: short stacking energy: -89.304
Base-Backbone interact. energy: -0.560
local terms energy: -100.334341
where:
bonds (distance) C4'-P energy: -18.281
bonds (distance) P-C4' energy: -19.184
flat angles C4'-P-C4' energy: -21.310
flat angles P-C4'-P energy: -15.982
tors. eta vs tors. theta energy: -25.577
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: 8
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -276.015882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.015882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.015882 (E_RNA)
where:
Base-Base interactions energy: -184.142
where: short stacking energy: -73.766
Base-Backbone interact. energy: -0.141
local terms energy: -91.732630
where:
bonds (distance) C4'-P energy: -17.082
bonds (distance) P-C4' energy: -21.037
flat angles C4'-P-C4' energy: -22.311
flat angles P-C4'-P energy: -9.159
tors. eta vs tors. theta energy: -22.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -260.703891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.703891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.703891 (E_RNA)
where:
Base-Base interactions energy: -175.296
where: short stacking energy: -73.665
Base-Backbone interact. energy: -0.061
local terms energy: -85.345935
where:
bonds (distance) C4'-P energy: -16.538
bonds (distance) P-C4' energy: -15.063
flat angles C4'-P-C4' energy: -19.746
flat angles P-C4'-P energy: -15.235
tors. eta vs tors. theta energy: -18.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -174.529793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.529793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.529793 (E_RNA)
where:
Base-Base interactions energy: -95.925
where: short stacking energy: -55.669
Base-Backbone interact. energy: -0.095
local terms energy: -78.509641
where:
bonds (distance) C4'-P energy: -13.651
bonds (distance) P-C4' energy: -22.697
flat angles C4'-P-C4' energy: -15.511
flat angles P-C4'-P energy: -11.410
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: 8, replica: 4
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -108.756042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.756042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.756042 (E_RNA)
where:
Base-Base interactions energy: -44.213
where: short stacking energy: -29.532
Base-Backbone interact. energy: 1.490
local terms energy: -66.032619
where:
bonds (distance) C4'-P energy: -17.180
bonds (distance) P-C4' energy: -18.156
flat angles C4'-P-C4' energy: -16.808
flat angles P-C4'-P energy: -4.518
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: 9, replica: 1
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -108.772223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.772223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.772223 (E_RNA)
where:
Base-Base interactions energy: -54.387
where: short stacking energy: -39.846
Base-Backbone interact. energy: 0.732
local terms energy: -55.116671
where:
bonds (distance) C4'-P energy: -13.899
bonds (distance) P-C4' energy: -14.809
flat angles C4'-P-C4' energy: -15.056
flat angles P-C4'-P energy: -9.646
tors. eta vs tors. theta energy: -1.707
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: 440
Temperature: 1.350000
Total energy: -103.034695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.034695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.034695 (E_RNA)
where:
Base-Base interactions energy: -38.045
where: short stacking energy: -30.663
Base-Backbone interact. energy: -1.487
local terms energy: -63.502758
where:
bonds (distance) C4'-P energy: -20.049
bonds (distance) P-C4' energy: -17.112
flat angles C4'-P-C4' energy: -17.032
flat angles P-C4'-P energy: -10.146
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: 2
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -329.926476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.926476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.926476 (E_RNA)
where:
Base-Base interactions energy: -217.560
where: short stacking energy: -86.210
Base-Backbone interact. energy: -0.830
local terms energy: -111.536619
where:
bonds (distance) C4'-P energy: -19.213
bonds (distance) P-C4' energy: -22.363
flat angles C4'-P-C4' energy: -24.035
flat angles P-C4'-P energy: -17.753
tors. eta vs tors. theta energy: -28.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -316.963103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.963103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.963103 (E_RNA)
where:
Base-Base interactions energy: -211.377
where: short stacking energy: -90.884
Base-Backbone interact. energy: -0.102
local terms energy: -105.484014
where:
bonds (distance) C4'-P energy: -18.112
bonds (distance) P-C4' energy: -20.194
flat angles C4'-P-C4' energy: -21.377
flat angles P-C4'-P energy: -17.116
tors. eta vs tors. theta energy: -28.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -317.164370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.164370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.164370 (E_RNA)
where:
Base-Base interactions energy: -223.236
where: short stacking energy: -87.489
Base-Backbone interact. energy: 0.382
local terms energy: -94.310204
where:
bonds (distance) C4'-P energy: -14.701
bonds (distance) P-C4' energy: -17.266
flat angles C4'-P-C4' energy: -21.582
flat angles P-C4'-P energy: -17.216
tors. eta vs tors. theta energy: -23.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -270.074158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.074158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.074158 (E_RNA)
where:
Base-Base interactions energy: -190.164
where: short stacking energy: -79.064
Base-Backbone interact. energy: -0.112
local terms energy: -79.797635
where:
bonds (distance) C4'-P energy: -12.792
bonds (distance) P-C4' energy: -19.791
flat angles C4'-P-C4' energy: -19.661
flat angles P-C4'-P energy: -4.059
tors. eta vs tors. theta energy: -23.494
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: 7
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -301.599814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.599814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.599814 (E_RNA)
where:
Base-Base interactions energy: -203.301
where: short stacking energy: -81.734
Base-Backbone interact. energy: -0.383
local terms energy: -97.915910
where:
bonds (distance) C4'-P energy: -16.030
bonds (distance) P-C4' energy: -20.276
flat angles C4'-P-C4' energy: -23.574
flat angles P-C4'-P energy: -16.122
tors. eta vs tors. theta energy: -21.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -246.208570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.208570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.208570 (E_RNA)
where:
Base-Base interactions energy: -159.246
where: short stacking energy: -57.778
Base-Backbone interact. energy: -0.336
local terms energy: -86.626635
where:
bonds (distance) C4'-P energy: -16.455
bonds (distance) P-C4' energy: -19.977
flat angles C4'-P-C4' energy: -17.902
flat angles P-C4'-P energy: -18.721
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: 7, replica: 9
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -178.827568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.827568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.827568 (E_RNA)
where:
Base-Base interactions energy: -102.193
where: short stacking energy: -62.179
Base-Backbone interact. energy: -0.682
local terms energy: -75.953041
where:
bonds (distance) C4'-P energy: -14.242
bonds (distance) P-C4' energy: -22.686
flat angles C4'-P-C4' energy: -14.778
flat angles P-C4'-P energy: -9.553
tors. eta vs tors. theta energy: -14.694
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: 1
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -140.035237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.035237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.035237 (E_RNA)
where:
Base-Base interactions energy: -69.943
where: short stacking energy: -41.269
Base-Backbone interact. energy: 0.110
local terms energy: -70.201940
where:
bonds (distance) C4'-P energy: -14.412
bonds (distance) P-C4' energy: -22.423
flat angles C4'-P-C4' energy: -16.695
flat angles P-C4'-P energy: -11.547
tors. eta vs tors. theta energy: -5.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -110.494004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.494004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.494004 (E_RNA)
where:
Base-Base interactions energy: -52.536
where: short stacking energy: -46.996
Base-Backbone interact. energy: -0.359
local terms energy: -57.598879
where:
bonds (distance) C4'-P energy: -13.695
bonds (distance) P-C4' energy: -12.886
flat angles C4'-P-C4' energy: -15.746
flat angles P-C4'-P energy: -11.153
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: 10, replica: 5
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -99.593196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.593196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.593196 (E_RNA)
where:
Base-Base interactions energy: -45.614
where: short stacking energy: -28.509
Base-Backbone interact. energy: -0.325
local terms energy: -53.653911
where:
bonds (distance) C4'-P energy: -12.175
bonds (distance) P-C4' energy: -19.547
flat angles C4'-P-C4' energy: -14.118
flat angles P-C4'-P energy: -10.463
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: 1, replica: 3
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -333.344387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.344387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.344387 (E_RNA)
where:
Base-Base interactions energy: -221.800
where: short stacking energy: -99.804
Base-Backbone interact. energy: -1.265
local terms energy: -110.279576
where:
bonds (distance) C4'-P energy: -22.451
bonds (distance) P-C4' energy: -21.774
flat angles C4'-P-C4' energy: -21.256
flat angles P-C4'-P energy: -13.341
tors. eta vs tors. theta energy: -31.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -322.118581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.118581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.118581 (E_RNA)
where:
Base-Base interactions energy: -221.645
where: short stacking energy: -90.909
Base-Backbone interact. energy: -0.086
local terms energy: -100.388300
where:
bonds (distance) C4'-P energy: -19.782
bonds (distance) P-C4' energy: -19.323
flat angles C4'-P-C4' energy: -22.572
flat angles P-C4'-P energy: -12.787
tors. eta vs tors. theta energy: -25.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -320.996588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.996588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.996588 (E_RNA)
where:
Base-Base interactions energy: -216.668
where: short stacking energy: -92.470
Base-Backbone interact. energy: -0.435
local terms energy: -103.892719
where:
bonds (distance) C4'-P energy: -23.312
bonds (distance) P-C4' energy: -22.032
flat angles C4'-P-C4' energy: -21.843
flat angles P-C4'-P energy: -12.423
tors. eta vs tors. theta energy: -24.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -294.014721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.014721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.014721 (E_RNA)
where:
Base-Base interactions energy: -196.863
where: short stacking energy: -83.109
Base-Backbone interact. energy: -0.269
local terms energy: -96.882587
where:
bonds (distance) C4'-P energy: -19.064
bonds (distance) P-C4' energy: -21.320
flat angles C4'-P-C4' energy: -22.476
flat angles P-C4'-P energy: -10.767
tors. eta vs tors. theta energy: -23.256
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: 7
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -295.661411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.661411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.661411 (E_RNA)
where:
Base-Base interactions energy: -200.894
where: short stacking energy: -83.705
Base-Backbone interact. energy: -0.307
local terms energy: -94.460805
where:
bonds (distance) C4'-P energy: -15.943
bonds (distance) P-C4' energy: -19.125
flat angles C4'-P-C4' energy: -24.069
flat angles P-C4'-P energy: -14.620
tors. eta vs tors. theta energy: -20.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -246.587783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.587783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.587783 (E_RNA)
where:
Base-Base interactions energy: -161.929
where: short stacking energy: -75.473
Base-Backbone interact. energy: -0.660
local terms energy: -83.998240
where:
bonds (distance) C4'-P energy: -17.372
bonds (distance) P-C4' energy: -17.879
flat angles C4'-P-C4' energy: -18.034
flat angles P-C4'-P energy: -11.899
tors. eta vs tors. theta energy: -18.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -177.067487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.067487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.067487 (E_RNA)
where:
Base-Base interactions energy: -92.767
where: short stacking energy: -52.153
Base-Backbone interact. energy: 0.389
local terms energy: -84.689858
where:
bonds (distance) C4'-P energy: -23.924
bonds (distance) P-C4' energy: -16.945
flat angles C4'-P-C4' energy: -17.878
flat angles P-C4'-P energy: -11.103
tors. eta vs tors. theta energy: -14.839
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: 1
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -121.543379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.543379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.543379 (E_RNA)
where:
Base-Base interactions energy: -67.181
where: short stacking energy: -33.514
Base-Backbone interact. energy: -0.047
local terms energy: -54.315698
where:
bonds (distance) C4'-P energy: -19.484
bonds (distance) P-C4' energy: -17.795
flat angles C4'-P-C4' energy: -14.779
flat angles P-C4'-P energy: -2.058
tors. eta vs tors. theta energy: -0.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -130.031597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.031597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.031597 (E_RNA)
where:
Base-Base interactions energy: -54.629
where: short stacking energy: -48.123
Base-Backbone interact. energy: -0.043
local terms energy: -75.359492
where:
bonds (distance) C4'-P energy: -13.683
bonds (distance) P-C4' energy: -20.109
flat angles C4'-P-C4' energy: -18.319
flat angles P-C4'-P energy: -15.222
tors. eta vs tors. theta energy: -8.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -109.166229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.166229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.166229 (E_RNA)
where:
Base-Base interactions energy: -51.633
where: short stacking energy: -32.553
Base-Backbone interact. energy: -0.690
local terms energy: -56.843554
where:
bonds (distance) C4'-P energy: -7.833
bonds (distance) P-C4' energy: -20.387
flat angles C4'-P-C4' energy: -20.364
flat angles P-C4'-P energy: -6.388
tors. eta vs tors. theta energy: -1.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -334.687284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.687284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.687284 (E_RNA)
where:
Base-Base interactions energy: -229.394
where: short stacking energy: -104.677
Base-Backbone interact. energy: -0.471
local terms energy: -104.821991
where:
bonds (distance) C4'-P energy: -21.904
bonds (distance) P-C4' energy: -17.890
flat angles C4'-P-C4' energy: -22.682
flat angles P-C4'-P energy: -13.422
tors. eta vs tors. theta energy: -28.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -319.774198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.774198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.774198 (E_RNA)
where:
Base-Base interactions energy: -225.051
where: short stacking energy: -88.795
Base-Backbone interact. energy: -1.081
local terms energy: -93.642323
where:
bonds (distance) C4'-P energy: -20.630
bonds (distance) P-C4' energy: -16.945
flat angles C4'-P-C4' energy: -19.094
flat angles P-C4'-P energy: -11.605
tors. eta vs tors. theta energy: -25.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -329.900722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.900722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.900722 (E_RNA)
where:
Base-Base interactions energy: -221.228
where: short stacking energy: -92.306
Base-Backbone interact. energy: -0.409
local terms energy: -108.263951
where:
bonds (distance) C4'-P energy: -17.507
bonds (distance) P-C4' energy: -22.816
flat angles C4'-P-C4' energy: -20.933
flat angles P-C4'-P energy: -17.465
tors. eta vs tors. theta energy: -29.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -316.586198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.586198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.586198 (E_RNA)
where:
Base-Base interactions energy: -219.673
where: short stacking energy: -96.756
Base-Backbone interact. energy: 0.058
local terms energy: -96.971115
where:
bonds (distance) C4'-P energy: -19.292
bonds (distance) P-C4' energy: -20.824
flat angles C4'-P-C4' energy: -18.572
flat angles P-C4'-P energy: -11.381
tors. eta vs tors. theta energy: -26.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -271.543732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.543732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.543732 (E_RNA)
where:
Base-Base interactions energy: -196.271
where: short stacking energy: -74.823
Base-Backbone interact. energy: -0.093
local terms energy: -75.180010
where:
bonds (distance) C4'-P energy: -12.093
bonds (distance) P-C4' energy: -23.765
flat angles C4'-P-C4' energy: -15.178
flat angles P-C4'-P energy: -8.151
tors. eta vs tors. theta energy: -15.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -259.095562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.095562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.095562 (E_RNA)
where:
Base-Base interactions energy: -173.327
where: short stacking energy: -87.055
Base-Backbone interact. energy: -0.241
local terms energy: -85.527280
where:
bonds (distance) C4'-P energy: -16.419
bonds (distance) P-C4' energy: -17.539
flat angles C4'-P-C4' energy: -18.592
flat angles P-C4'-P energy: -13.270
tors. eta vs tors. theta energy: -19.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -177.837077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.837077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.837077 (E_RNA)
where:
Base-Base interactions energy: -108.502
where: short stacking energy: -49.635
Base-Backbone interact. energy: 0.414
local terms energy: -69.748976
where:
bonds (distance) C4'-P energy: -19.421
bonds (distance) P-C4' energy: -17.730
flat angles C4'-P-C4' energy: -19.439
flat angles P-C4'-P energy: -6.585
tors. eta vs tors. theta energy: -6.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -145.638298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.638298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.638298 (E_RNA)
where:
Base-Base interactions energy: -84.137
where: short stacking energy: -37.912
Base-Backbone interact. energy: -0.108
local terms energy: -61.393458
where:
bonds (distance) C4'-P energy: -18.111
bonds (distance) P-C4' energy: -18.803
flat angles C4'-P-C4' energy: -15.021
flat angles P-C4'-P energy: -11.461
tors. eta vs tors. theta energy: 2.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -101.159553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.159553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.159553 (E_RNA)
where:
Base-Base interactions energy: -45.538
where: short stacking energy: -30.713
Base-Backbone interact. energy: -0.319
local terms energy: -55.302600
where:
bonds (distance) C4'-P energy: -17.968
bonds (distance) P-C4' energy: -19.967
flat angles C4'-P-C4' energy: -7.383
flat angles P-C4'-P energy: -12.931
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: 10, replica: 4
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -109.242964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.242964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.242964 (E_RNA)
where:
Base-Base interactions energy: -44.347
where: short stacking energy: -29.938
Base-Backbone interact. energy: -0.133
local terms energy: -64.762986
where:
bonds (distance) C4'-P energy: -18.225
bonds (distance) P-C4' energy: -22.572
flat angles C4'-P-C4' energy: -18.022
flat angles P-C4'-P energy: -6.028
tors. eta vs tors. theta energy: 0.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -336.561127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.561127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.561127 (E_RNA)
where:
Base-Base interactions energy: -232.989
where: short stacking energy: -95.456
Base-Backbone interact. energy: -0.064
local terms energy: -103.508762
where:
bonds (distance) C4'-P energy: -21.888
bonds (distance) P-C4' energy: -21.149
flat angles C4'-P-C4' energy: -20.686
flat angles P-C4'-P energy: -14.137
tors. eta vs tors. theta energy: -25.648
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: 3
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -325.235841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.235841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.235841 (E_RNA)
where:
Base-Base interactions energy: -219.751
where: short stacking energy: -89.417
Base-Backbone interact. energy: 0.126
local terms energy: -105.610775
where:
bonds (distance) C4'-P energy: -21.234
bonds (distance) P-C4' energy: -23.564
flat angles C4'-P-C4' energy: -19.934
flat angles P-C4'-P energy: -15.483
tors. eta vs tors. theta energy: -25.398
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: 7
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -308.477378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.477378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.477378 (E_RNA)
where:
Base-Base interactions energy: -203.000
where: short stacking energy: -91.396
Base-Backbone interact. energy: -0.420
local terms energy: -105.057065
where:
bonds (distance) C4'-P energy: -23.337
bonds (distance) P-C4' energy: -20.619
flat angles C4'-P-C4' energy: -23.800
flat angles P-C4'-P energy: -15.342
tors. eta vs tors. theta energy: -21.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -314.888715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.888715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.888715 (E_RNA)
where:
Base-Base interactions energy: -215.628
where: short stacking energy: -88.965
Base-Backbone interact. energy: -0.173
local terms energy: -99.088043
where:
bonds (distance) C4'-P energy: -20.277
bonds (distance) P-C4' energy: -19.439
flat angles C4'-P-C4' energy: -22.674
flat angles P-C4'-P energy: -10.534
tors. eta vs tors. theta energy: -26.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -274.232276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.232276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.232276 (E_RNA)
where:
Base-Base interactions energy: -185.199
where: short stacking energy: -76.398
Base-Backbone interact. energy: 0.372
local terms energy: -89.405465
where:
bonds (distance) C4'-P energy: -15.678
bonds (distance) P-C4' energy: -19.421
flat angles C4'-P-C4' energy: -17.818
flat angles P-C4'-P energy: -18.074
tors. eta vs tors. theta energy: -18.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -254.655039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.655039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.655039 (E_RNA)
where:
Base-Base interactions energy: -171.800
where: short stacking energy: -79.684
Base-Backbone interact. energy: -0.044
local terms energy: -82.811186
where:
bonds (distance) C4'-P energy: -13.563
bonds (distance) P-C4' energy: -20.326
flat angles C4'-P-C4' energy: -18.378
flat angles P-C4'-P energy: -14.480
tors. eta vs tors. theta energy: -16.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -176.741330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.741330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.741330 (E_RNA)
where:
Base-Base interactions energy: -105.270
where: short stacking energy: -50.361
Base-Backbone interact. energy: 2.260
local terms energy: -73.731268
where:
bonds (distance) C4'-P energy: -17.910
bonds (distance) P-C4' energy: -19.570
flat angles C4'-P-C4' energy: -18.310
flat angles P-C4'-P energy: -11.281
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: 8, replica: 5
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -189.697703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.697703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.697703 (E_RNA)
where:
Base-Base interactions energy: -125.724
where: short stacking energy: -43.550
Base-Backbone interact. energy: 1.804
local terms energy: -65.776828
where:
bonds (distance) C4'-P energy: -17.569
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -20.724
flat angles P-C4'-P energy: -5.898
tors. eta vs tors. theta energy: -6.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -102.189512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.189512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.189512 (E_RNA)
where:
Base-Base interactions energy: -34.214
where: short stacking energy: -34.214
Base-Backbone interact. energy: -0.007
local terms energy: -67.969051
where:
bonds (distance) C4'-P energy: -14.797
bonds (distance) P-C4' energy: -21.941
flat angles C4'-P-C4' energy: -15.796
flat angles P-C4'-P energy: -10.648
tors. eta vs tors. theta energy: -4.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -108.883393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.883393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.883393 (E_RNA)
where:
Base-Base interactions energy: -36.662
where: short stacking energy: -36.662
Base-Backbone interact. energy: -0.164
local terms energy: -72.057446
where:
bonds (distance) C4'-P energy: -17.860
bonds (distance) P-C4' energy: -22.018
flat angles C4'-P-C4' energy: -17.928
flat angles P-C4'-P energy: -12.662
tors. eta vs tors. theta energy: -1.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -334.081299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.081299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.081299 (E_RNA)
where:
Base-Base interactions energy: -231.563
where: short stacking energy: -94.514
Base-Backbone interact. energy: -0.593
local terms energy: -101.925105
where:
bonds (distance) C4'-P energy: -20.795
bonds (distance) P-C4' energy: -22.408
flat angles C4'-P-C4' energy: -22.393
flat angles P-C4'-P energy: -10.245
tors. eta vs tors. theta energy: -26.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -319.940497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.940497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.940497 (E_RNA)
where:
Base-Base interactions energy: -211.900
where: short stacking energy: -79.481
Base-Backbone interact. energy: -0.721
local terms energy: -107.319239
where:
bonds (distance) C4'-P energy: -20.034
bonds (distance) P-C4' energy: -18.634
flat angles C4'-P-C4' energy: -26.477
flat angles P-C4'-P energy: -14.878
tors. eta vs tors. theta energy: -27.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -312.743515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.743515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.743515 (E_RNA)
where:
Base-Base interactions energy: -212.520
where: short stacking energy: -88.818
Base-Backbone interact. energy: -0.119
local terms energy: -100.104710
where:
bonds (distance) C4'-P energy: -19.375
bonds (distance) P-C4' energy: -23.948
flat angles C4'-P-C4' energy: -18.217
flat angles P-C4'-P energy: -12.655
tors. eta vs tors. theta energy: -25.910
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: 4, replica: 2
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -316.436141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.436141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.436141 (E_RNA)
where:
Base-Base interactions energy: -217.233
where: short stacking energy: -93.459
Base-Backbone interact. energy: -0.119
local terms energy: -99.083522
where:
bonds (distance) C4'-P energy: -19.902
bonds (distance) P-C4' energy: -20.752
flat angles C4'-P-C4' energy: -22.729
flat angles P-C4'-P energy: -9.504
tors. eta vs tors. theta energy: -26.197
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: 8
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -261.977013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.977013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.977013 (E_RNA)
where:
Base-Base interactions energy: -174.653
where: short stacking energy: -73.613
Base-Backbone interact. energy: -0.345
local terms energy: -86.978714
where:
bonds (distance) C4'-P energy: -23.415
bonds (distance) P-C4' energy: -17.385
flat angles C4'-P-C4' energy: -19.062
flat angles P-C4'-P energy: -9.324
tors. eta vs tors. theta energy: -17.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -241.753953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.753953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.753953 (E_RNA)
where:
Base-Base interactions energy: -150.306
where: short stacking energy: -74.516
Base-Backbone interact. energy: -0.649
local terms energy: -90.799484
where:
bonds (distance) C4'-P energy: -20.257
bonds (distance) P-C4' energy: -18.916
flat angles C4'-P-C4' energy: -21.158
flat angles P-C4'-P energy: -11.230
tors. eta vs tors. theta energy: -19.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -162.635660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.635660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.635660 (E_RNA)
where:
Base-Base interactions energy: -92.014
where: short stacking energy: -46.506
Base-Backbone interact. energy: 0.170
local terms energy: -70.790966
where:
bonds (distance) C4'-P energy: -21.104
bonds (distance) P-C4' energy: -21.733
flat angles C4'-P-C4' energy: -16.413
flat angles P-C4'-P energy: -10.187
tors. eta vs tors. theta energy: -1.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -133.652888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.652888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.652888 (E_RNA)
where:
Base-Base interactions energy: -68.312
where: short stacking energy: -39.848
Base-Backbone interact. energy: -1.144
local terms energy: -64.197607
where:
bonds (distance) C4'-P energy: -13.700
bonds (distance) P-C4' energy: -16.644
flat angles C4'-P-C4' energy: -21.197
flat angles P-C4'-P energy: -8.694
tors. eta vs tors. theta energy: -3.964
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: 5
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -166.228986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.228986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.228986 (E_RNA)
where:
Base-Base interactions energy: -86.974
where: short stacking energy: -49.109
Base-Backbone interact. energy: -0.202
local terms energy: -79.053179
where:
bonds (distance) C4'-P energy: -21.914
bonds (distance) P-C4' energy: -17.971
flat angles C4'-P-C4' energy: -18.637
flat angles P-C4'-P energy: -13.704
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: 10, replica: 1
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -110.914726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.914726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.914726 (E_RNA)
where:
Base-Base interactions energy: -40.544
where: short stacking energy: -29.343
Base-Backbone interact. energy: -0.123
local terms energy: -70.247573
where:
bonds (distance) C4'-P energy: -23.295
bonds (distance) P-C4' energy: -14.885
flat angles C4'-P-C4' energy: -19.373
flat angles P-C4'-P energy: -9.124
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: 1, replica: 6
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -335.165457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.165457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.165457 (E_RNA)
where:
Base-Base interactions energy: -226.085
where: short stacking energy: -94.991
Base-Backbone interact. energy: -0.808
local terms energy: -108.272758
where:
bonds (distance) C4'-P energy: -20.700
bonds (distance) P-C4' energy: -22.422
flat angles C4'-P-C4' energy: -22.615
flat angles P-C4'-P energy: -13.831
tors. eta vs tors. theta energy: -28.705
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: 3
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -326.640923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.640923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.640923 (E_RNA)
where:
Base-Base interactions energy: -214.658
where: short stacking energy: -94.331
Base-Backbone interact. energy: -0.320
local terms energy: -111.663388
where:
bonds (distance) C4'-P energy: -20.754
bonds (distance) P-C4' energy: -22.791
flat angles C4'-P-C4' energy: -24.969
flat angles P-C4'-P energy: -16.379
tors. eta vs tors. theta energy: -26.771
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: 7
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -320.179865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.179865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.179865 (E_RNA)
where:
Base-Base interactions energy: -216.533
where: short stacking energy: -95.368
Base-Backbone interact. energy: 0.720
local terms energy: -104.367205
where:
bonds (distance) C4'-P energy: -17.885
bonds (distance) P-C4' energy: -19.946
flat angles C4'-P-C4' energy: -22.688
flat angles P-C4'-P energy: -16.426
tors. eta vs tors. theta energy: -27.422
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: 2
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -305.979404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.979404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.979404 (E_RNA)
where:
Base-Base interactions energy: -213.515
where: short stacking energy: -84.308
Base-Backbone interact. energy: 1.445
local terms energy: -93.909316
where:
bonds (distance) C4'-P energy: -21.742
bonds (distance) P-C4' energy: -19.139
flat angles C4'-P-C4' energy: -23.125
flat angles P-C4'-P energy: -7.685
tors. eta vs tors. theta energy: -22.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -279.556921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.556921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.556921 (E_RNA)
where:
Base-Base interactions energy: -199.204
where: short stacking energy: -73.049
Base-Backbone interact. energy: -0.584
local terms energy: -79.769159
where:
bonds (distance) C4'-P energy: -21.266
bonds (distance) P-C4' energy: -20.008
flat angles C4'-P-C4' energy: -15.667
flat angles P-C4'-P energy: -6.770
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: 6, replica: 10
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -250.814868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.814868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.814868 (E_RNA)
where:
Base-Base interactions energy: -166.711
where: short stacking energy: -69.212
Base-Backbone interact. energy: -0.197
local terms energy: -83.906932
where:
bonds (distance) C4'-P energy: -19.685
bonds (distance) P-C4' energy: -15.503
flat angles C4'-P-C4' energy: -18.521
flat angles P-C4'-P energy: -10.900
tors. eta vs tors. theta energy: -19.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -163.755853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.755853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.755853 (E_RNA)
where:
Base-Base interactions energy: -92.911
where: short stacking energy: -50.425
Base-Backbone interact. energy: 0.008
local terms energy: -70.853001
where:
bonds (distance) C4'-P energy: -16.493
bonds (distance) P-C4' energy: -17.046
flat angles C4'-P-C4' energy: -17.663
flat angles P-C4'-P energy: -8.815
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: 8, replica: 9
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -126.311226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.311226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.311226 (E_RNA)
where:
Base-Base interactions energy: -55.698
where: short stacking energy: -34.620
Base-Backbone interact. energy: -0.134
local terms energy: -70.478979
where:
bonds (distance) C4'-P energy: -21.855
bonds (distance) P-C4' energy: -18.381
flat angles C4'-P-C4' energy: -17.165
flat angles P-C4'-P energy: -7.413
tors. eta vs tors. theta energy: -5.666
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: 5
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -167.740437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.740437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.740437 (E_RNA)
where:
Base-Base interactions energy: -94.534
where: short stacking energy: -56.623
Base-Backbone interact. energy: -0.177
local terms energy: -73.030177
where:
bonds (distance) C4'-P energy: -14.903
bonds (distance) P-C4' energy: -17.845
flat angles C4'-P-C4' energy: -17.744
flat angles P-C4'-P energy: -15.217
tors. eta vs tors. theta energy: -7.322
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: 1
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -90.853917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.853917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.853917 (E_RNA)
where:
Base-Base interactions energy: -28.055
where: short stacking energy: -22.541
Base-Backbone interact. energy: -0.180
local terms energy: -62.618577
where:
bonds (distance) C4'-P energy: -13.673
bonds (distance) P-C4' energy: -16.369
flat angles C4'-P-C4' energy: -20.277
flat angles P-C4'-P energy: -12.757
tors. eta vs tors. theta energy: 0.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -332.546255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.546255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.546255 (E_RNA)
where:
Base-Base interactions energy: -233.136
where: short stacking energy: -100.623
Base-Backbone interact. energy: -0.101
local terms energy: -99.309392
where:
bonds (distance) C4'-P energy: -16.460
bonds (distance) P-C4' energy: -21.800
flat angles C4'-P-C4' energy: -17.790
flat angles P-C4'-P energy: -15.441
tors. eta vs tors. theta energy: -27.819
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: 3
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -328.198170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.198170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.198170 (E_RNA)
where:
Base-Base interactions energy: -226.238
where: short stacking energy: -101.279
Base-Backbone interact. energy: 0.133
local terms energy: -102.093952
where:
bonds (distance) C4'-P energy: -15.866
bonds (distance) P-C4' energy: -23.408
flat angles C4'-P-C4' energy: -21.696
flat angles P-C4'-P energy: -12.256
tors. eta vs tors. theta energy: -28.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -312.254785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.254785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.254785 (E_RNA)
where:
Base-Base interactions energy: -210.292
where: short stacking energy: -95.062
Base-Backbone interact. energy: -0.328
local terms energy: -101.634954
where:
bonds (distance) C4'-P energy: -19.523
bonds (distance) P-C4' energy: -21.796
flat angles C4'-P-C4' energy: -21.541
flat angles P-C4'-P energy: -8.594
tors. eta vs tors. theta energy: -30.181
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: 8
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -284.597243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.597243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.597243 (E_RNA)
where:
Base-Base interactions energy: -190.017
where: short stacking energy: -76.134
Base-Backbone interact. energy: -0.012
local terms energy: -94.568409
where:
bonds (distance) C4'-P energy: -20.947
bonds (distance) P-C4' energy: -21.101
flat angles C4'-P-C4' energy: -21.078
flat angles P-C4'-P energy: -10.193
tors. eta vs tors. theta energy: -21.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -308.960615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.960615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.960615 (E_RNA)
where:
Base-Base interactions energy: -207.004
where: short stacking energy: -88.330
Base-Backbone interact. energy: -0.101
local terms energy: -101.855590
where:
bonds (distance) C4'-P energy: -20.220
bonds (distance) P-C4' energy: -17.210
flat angles C4'-P-C4' energy: -21.390
flat angles P-C4'-P energy: -14.911
tors. eta vs tors. theta energy: -28.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -251.450299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.450299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.450299 (E_RNA)
where:
Base-Base interactions energy: -160.718
where: short stacking energy: -76.605
Base-Backbone interact. energy: -0.697
local terms energy: -90.035033
where:
bonds (distance) C4'-P energy: -19.638
bonds (distance) P-C4' energy: -20.197
flat angles C4'-P-C4' energy: -19.594
flat angles P-C4'-P energy: -12.184
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: 7, replica: 4
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -170.188555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.188555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.188555 (E_RNA)
where:
Base-Base interactions energy: -97.781
where: short stacking energy: -57.259
Base-Backbone interact. energy: -0.479
local terms energy: -71.928671
where:
bonds (distance) C4'-P energy: -16.697
bonds (distance) P-C4' energy: -19.141
flat angles C4'-P-C4' energy: -13.768
flat angles P-C4'-P energy: -7.361
tors. eta vs tors. theta energy: -14.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -133.018329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.018329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.018329 (E_RNA)
where:
Base-Base interactions energy: -67.642
where: short stacking energy: -39.658
Base-Backbone interact. energy: -0.605
local terms energy: -64.771232
where:
bonds (distance) C4'-P energy: -20.186
bonds (distance) P-C4' energy: -19.715
flat angles C4'-P-C4' energy: -11.481
flat angles P-C4'-P energy: -6.133
tors. eta vs tors. theta energy: -7.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -115.046444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.046444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.046444 (E_RNA)
where:
Base-Base interactions energy: -58.365
where: short stacking energy: -31.498
Base-Backbone interact. energy: -0.449
local terms energy: -56.232186
where:
bonds (distance) C4'-P energy: -13.582
bonds (distance) P-C4' energy: -19.967
flat angles C4'-P-C4' energy: -14.155
flat angles P-C4'-P energy: -7.326
tors. eta vs tors. theta energy: -1.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -94.718822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.718822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.718822 (E_RNA)
where:
Base-Base interactions energy: -27.294
where: short stacking energy: -18.977
Base-Backbone interact. energy: -0.241
local terms energy: -67.183814
where:
bonds (distance) C4'-P energy: -13.447
bonds (distance) P-C4' energy: -21.617
flat angles C4'-P-C4' energy: -13.431
flat angles P-C4'-P energy: -11.392
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: 1, replica: 3
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -325.808617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.808617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.808617 (E_RNA)
where:
Base-Base interactions energy: -225.198
where: short stacking energy: -99.517
Base-Backbone interact. energy: -0.130
local terms energy: -100.480826
where:
bonds (distance) C4'-P energy: -18.630
bonds (distance) P-C4' energy: -18.095
flat angles C4'-P-C4' energy: -21.269
flat angles P-C4'-P energy: -16.862
tors. eta vs tors. theta energy: -25.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -331.641877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.641877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.641877 (E_RNA)
where:
Base-Base interactions energy: -227.702
where: short stacking energy: -94.555
Base-Backbone interact. energy: -0.079
local terms energy: -103.860619
where:
bonds (distance) C4'-P energy: -21.523
bonds (distance) P-C4' energy: -22.118
flat angles C4'-P-C4' energy: -19.892
flat angles P-C4'-P energy: -15.636
tors. eta vs tors. theta energy: -24.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -314.143902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.143902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.143902 (E_RNA)
where:
Base-Base interactions energy: -212.100
where: short stacking energy: -86.655
Base-Backbone interact. energy: -0.353
local terms energy: -101.691527
where:
bonds (distance) C4'-P energy: -20.277
bonds (distance) P-C4' energy: -21.981
flat angles C4'-P-C4' energy: -18.639
flat angles P-C4'-P energy: -12.853
tors. eta vs tors. theta energy: -27.941
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: 8
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -292.178033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.178033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.178033 (E_RNA)
where:
Base-Base interactions energy: -206.028
where: short stacking energy: -84.388
Base-Backbone interact. energy: -0.664
local terms energy: -85.486396
where:
bonds (distance) C4'-P energy: -17.277
bonds (distance) P-C4' energy: -18.271
flat angles C4'-P-C4' energy: -14.140
flat angles P-C4'-P energy: -9.734
tors. eta vs tors. theta energy: -26.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -271.895257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.895257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.895257 (E_RNA)
where:
Base-Base interactions energy: -180.693
where: short stacking energy: -83.962
Base-Backbone interact. energy: -0.047
local terms energy: -91.155025
where:
bonds (distance) C4'-P energy: -15.892
bonds (distance) P-C4' energy: -19.229
flat angles C4'-P-C4' energy: -22.003
flat angles P-C4'-P energy: -12.931
tors. eta vs tors. theta energy: -21.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -302.143434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.143434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.143434 (E_RNA)
where:
Base-Base interactions energy: -210.767
where: short stacking energy: -85.399
Base-Backbone interact. energy: -0.451
local terms energy: -90.926078
where:
bonds (distance) C4'-P energy: -15.059
bonds (distance) P-C4' energy: -18.864
flat angles C4'-P-C4' energy: -20.181
flat angles P-C4'-P energy: -10.451
tors. eta vs tors. theta energy: -26.371
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: 4
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -178.910162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.910162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.910162 (E_RNA)
where:
Base-Base interactions energy: -112.924
where: short stacking energy: -44.460
Base-Backbone interact. energy: 0.191
local terms energy: -66.176637
where:
bonds (distance) C4'-P energy: -14.531
bonds (distance) P-C4' energy: -17.519
flat angles C4'-P-C4' energy: -18.215
flat angles P-C4'-P energy: -10.825
tors. eta vs tors. theta energy: -5.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -113.074052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.074052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.074052 (E_RNA)
where:
Base-Base interactions energy: -51.030
where: short stacking energy: -38.205
Base-Backbone interact. energy: -0.295
local terms energy: -61.749891
where:
bonds (distance) C4'-P energy: -18.639
bonds (distance) P-C4' energy: -16.928
flat angles C4'-P-C4' energy: -18.068
flat angles P-C4'-P energy: -4.165
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: 1
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -105.808474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.808474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.808474 (E_RNA)
where:
Base-Base interactions energy: -35.147
where: short stacking energy: -33.050
Base-Backbone interact. energy: 0.924
local terms energy: -71.585313
where:
bonds (distance) C4'-P energy: -22.611
bonds (distance) P-C4' energy: -19.671
flat angles C4'-P-C4' energy: -18.028
flat angles P-C4'-P energy: -11.462
tors. eta vs tors. theta energy: 0.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -103.983596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.983596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.983596 (E_RNA)
where:
Base-Base interactions energy: -37.045
where: short stacking energy: -33.578
Base-Backbone interact. energy: -0.355
local terms energy: -66.583027
where:
bonds (distance) C4'-P energy: -17.172
bonds (distance) P-C4' energy: -19.417
flat angles C4'-P-C4' energy: -14.716
flat angles P-C4'-P energy: -11.377
tors. eta vs tors. theta energy: -3.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -331.943570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.943570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.943570 (E_RNA)
where:
Base-Base interactions energy: -227.272
where: short stacking energy: -101.045
Base-Backbone interact. energy: -0.112
local terms energy: -104.559865
where:
bonds (distance) C4'-P energy: -19.458
bonds (distance) P-C4' energy: -19.129
flat angles C4'-P-C4' energy: -23.427
flat angles P-C4'-P energy: -14.061
tors. eta vs tors. theta energy: -28.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -312.737383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.737383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.737383 (E_RNA)
where:
Base-Base interactions energy: -223.381
where: short stacking energy: -84.838
Base-Backbone interact. energy: -0.469
local terms energy: -88.887225
where:
bonds (distance) C4'-P energy: -14.843
bonds (distance) P-C4' energy: -17.718
flat angles C4'-P-C4' energy: -22.200
flat angles P-C4'-P energy: -11.592
tors. eta vs tors. theta energy: -22.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -324.063017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.063017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.063017 (E_RNA)
where:
Base-Base interactions energy: -224.296
where: short stacking energy: -90.791
Base-Backbone interact. energy: -0.136
local terms energy: -99.631335
where:
bonds (distance) C4'-P energy: -21.831
bonds (distance) P-C4' energy: -16.733
flat angles C4'-P-C4' energy: -19.805
flat angles P-C4'-P energy: -13.490
tors. eta vs tors. theta energy: -27.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -288.805718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.805718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.805718 (E_RNA)
where:
Base-Base interactions energy: -206.259
where: short stacking energy: -87.560
Base-Backbone interact. energy: 0.434
local terms energy: -82.980697
where:
bonds (distance) C4'-P energy: -21.996
bonds (distance) P-C4' energy: -10.519
flat angles C4'-P-C4' energy: -18.132
flat angles P-C4'-P energy: -9.325
tors. eta vs tors. theta energy: -23.009
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: 10
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -250.953769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.953769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.953769 (E_RNA)
where:
Base-Base interactions energy: -161.978
where: short stacking energy: -78.542
Base-Backbone interact. energy: -0.085
local terms energy: -88.891719
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -19.591
flat angles C4'-P-C4' energy: -20.558
flat angles P-C4'-P energy: -10.007
tors. eta vs tors. theta energy: -24.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -305.387067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.387067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.387067 (E_RNA)
where:
Base-Base interactions energy: -219.066
where: short stacking energy: -75.442
Base-Backbone interact. energy: -0.471
local terms energy: -85.850390
where:
bonds (distance) C4'-P energy: -20.796
bonds (distance) P-C4' energy: -15.528
flat angles C4'-P-C4' energy: -16.776
flat angles P-C4'-P energy: -13.365
tors. eta vs tors. theta energy: -19.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -187.008569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.008569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.008569 (E_RNA)
where:
Base-Base interactions energy: -109.983
where: short stacking energy: -55.271
Base-Backbone interact. energy: -0.128
local terms energy: -76.897405
where:
bonds (distance) C4'-P energy: -20.950
bonds (distance) P-C4' energy: -16.474
flat angles C4'-P-C4' energy: -18.733
flat angles P-C4'-P energy: -9.984
tors. eta vs tors. theta energy: -10.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -119.288572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.288572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.288572 (E_RNA)
where:
Base-Base interactions energy: -42.834
where: short stacking energy: -42.834
Base-Backbone interact. energy: -0.191
local terms energy: -76.263460
where:
bonds (distance) C4'-P energy: -15.259
bonds (distance) P-C4' energy: -22.510
flat angles C4'-P-C4' energy: -17.831
flat angles P-C4'-P energy: -12.762
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: 9, replica: 5
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -115.707225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.707225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.707225 (E_RNA)
where:
Base-Base interactions energy: -44.949
where: short stacking energy: -40.998
Base-Backbone interact. energy: -0.285
local terms energy: -70.472822
where:
bonds (distance) C4'-P energy: -13.567
bonds (distance) P-C4' energy: -16.058
flat angles C4'-P-C4' energy: -19.839
flat angles P-C4'-P energy: -13.334
tors. eta vs tors. theta energy: -7.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -98.285889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.285889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.285889 (E_RNA)
where:
Base-Base interactions energy: -40.896
where: short stacking energy: -38.295
Base-Backbone interact. energy: -0.755
local terms energy: -56.634504
where:
bonds (distance) C4'-P energy: -7.970
bonds (distance) P-C4' energy: -22.757
flat angles C4'-P-C4' energy: -19.826
flat angles P-C4'-P energy: -5.707
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: 1, replica: 3
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -334.687667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.687667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.687667 (E_RNA)
where:
Base-Base interactions energy: -231.885
where: short stacking energy: -99.074
Base-Backbone interact. energy: -0.148
local terms energy: -102.654615
where:
bonds (distance) C4'-P energy: -20.918
bonds (distance) P-C4' energy: -21.408
flat angles C4'-P-C4' energy: -20.568
flat angles P-C4'-P energy: -12.930
tors. eta vs tors. theta energy: -26.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -321.214554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.214554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.214554 (E_RNA)
where:
Base-Base interactions energy: -232.320
where: short stacking energy: -96.323
Base-Backbone interact. energy: 0.342
local terms energy: -89.236842
where:
bonds (distance) C4'-P energy: -18.722
bonds (distance) P-C4' energy: -15.037
flat angles C4'-P-C4' energy: -16.355
flat angles P-C4'-P energy: -12.777
tors. eta vs tors. theta energy: -26.346
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: 8
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -283.254390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.254390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.254390 (E_RNA)
where:
Base-Base interactions energy: -199.911
where: short stacking energy: -75.825
Base-Backbone interact. energy: 0.002
local terms energy: -83.345185
where:
bonds (distance) C4'-P energy: -18.490
bonds (distance) P-C4' energy: -12.266
flat angles C4'-P-C4' energy: -22.322
flat angles P-C4'-P energy: -10.898
tors. eta vs tors. theta energy: -19.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -308.873901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.873901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.873901 (E_RNA)
where:
Base-Base interactions energy: -210.467
where: short stacking energy: -92.400
Base-Backbone interact. energy: -0.886
local terms energy: -97.520680
where:
bonds (distance) C4'-P energy: -18.022
bonds (distance) P-C4' energy: -23.689
flat angles C4'-P-C4' energy: -16.946
flat angles P-C4'-P energy: -10.457
tors. eta vs tors. theta energy: -28.405
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: 5, replica: 2
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -291.964335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.964335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.964335 (E_RNA)
where:
Base-Base interactions energy: -197.285
where: short stacking energy: -86.858
Base-Backbone interact. energy: 1.714
local terms energy: -96.392936
where:
bonds (distance) C4'-P energy: -17.545
bonds (distance) P-C4' energy: -19.185
flat angles C4'-P-C4' energy: -22.251
flat angles P-C4'-P energy: -10.813
tors. eta vs tors. theta energy: -26.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -257.426422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.426422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.426422 (E_RNA)
where:
Base-Base interactions energy: -168.650
where: short stacking energy: -79.552
Base-Backbone interact. energy: 0.882
local terms energy: -89.659060
where:
bonds (distance) C4'-P energy: -22.812
bonds (distance) P-C4' energy: -22.209
flat angles C4'-P-C4' energy: -14.793
flat angles P-C4'-P energy: -10.858
tors. eta vs tors. theta energy: -18.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -123.099781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.099781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.099781 (E_RNA)
where:
Base-Base interactions energy: -58.302
where: short stacking energy: -43.955
Base-Backbone interact. energy: -0.168
local terms energy: -64.629986
where:
bonds (distance) C4'-P energy: -14.533
bonds (distance) P-C4' energy: -20.036
flat angles C4'-P-C4' energy: -13.647
flat angles P-C4'-P energy: -9.966
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: 8, replica: 4
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -161.790175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.790175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.790175 (E_RNA)
where:
Base-Base interactions energy: -89.407
where: short stacking energy: -46.688
Base-Backbone interact. energy: -0.571
local terms energy: -71.812193
where:
bonds (distance) C4'-P energy: -15.661
bonds (distance) P-C4' energy: -20.438
flat angles C4'-P-C4' energy: -15.423
flat angles P-C4'-P energy: -14.200
tors. eta vs tors. theta energy: -6.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -104.445669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.445669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.445669 (E_RNA)
where:
Base-Base interactions energy: -32.716
where: short stacking energy: -30.082
Base-Backbone interact. energy: -0.037
local terms energy: -71.692102
where:
bonds (distance) C4'-P energy: -18.245
bonds (distance) P-C4' energy: -23.893
flat angles C4'-P-C4' energy: -16.770
flat angles P-C4'-P energy: -7.457
tors. eta vs tors. theta energy: -5.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -108.444863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.444863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.444863 (E_RNA)
where:
Base-Base interactions energy: -47.890
where: short stacking energy: -34.160
Base-Backbone interact. energy: -0.361
local terms energy: -60.193526
where:
bonds (distance) C4'-P energy: -18.242
bonds (distance) P-C4' energy: -17.832
flat angles C4'-P-C4' energy: -16.078
flat angles P-C4'-P energy: -7.154
tors. eta vs tors. theta energy: -0.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -332.718164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.718164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.718164 (E_RNA)
where:
Base-Base interactions energy: -223.387
where: short stacking energy: -91.305
Base-Backbone interact. energy: -0.265
local terms energy: -109.065631
where:
bonds (distance) C4'-P energy: -18.078
bonds (distance) P-C4' energy: -22.598
flat angles C4'-P-C4' energy: -22.539
flat angles P-C4'-P energy: -19.048
tors. eta vs tors. theta energy: -26.803
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: 2, replica: 7
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -331.442530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.442530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.442530 (E_RNA)
where:
Base-Base interactions energy: -221.811
where: short stacking energy: -91.235
Base-Backbone interact. energy: -0.075
local terms energy: -109.556354
where:
bonds (distance) C4'-P energy: -18.423
bonds (distance) P-C4' energy: -24.030
flat angles C4'-P-C4' energy: -21.966
flat angles P-C4'-P energy: -16.034
tors. eta vs tors. theta energy: -29.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -298.166626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.166626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.166626 (E_RNA)
where:
Base-Base interactions energy: -207.035
where: short stacking energy: -91.370
Base-Backbone interact. energy: -0.657
local terms energy: -90.474384
where:
bonds (distance) C4'-P energy: -20.994
bonds (distance) P-C4' energy: -19.745
flat angles C4'-P-C4' energy: -19.395
flat angles P-C4'-P energy: -12.124
tors. eta vs tors. theta energy: -18.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -321.713991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.713991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.713991 (E_RNA)
where:
Base-Base interactions energy: -221.594
where: short stacking energy: -93.049
Base-Backbone interact. energy: -0.970
local terms energy: -99.149799
where:
bonds (distance) C4'-P energy: -16.017
bonds (distance) P-C4' energy: -20.321
flat angles C4'-P-C4' energy: -21.826
flat angles P-C4'-P energy: -15.120
tors. eta vs tors. theta energy: -25.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -313.199138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.199138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.199138 (E_RNA)
where:
Base-Base interactions energy: -208.913
where: short stacking energy: -90.234
Base-Backbone interact. energy: 0.587
local terms energy: -104.873107
where:
bonds (distance) C4'-P energy: -20.111
bonds (distance) P-C4' energy: -18.846
flat angles C4'-P-C4' energy: -22.144
flat angles P-C4'-P energy: -15.516
tors. eta vs tors. theta energy: -28.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -247.115596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.115596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.115596 (E_RNA)
where:
Base-Base interactions energy: -167.555
where: short stacking energy: -75.687
Base-Backbone interact. energy: 1.115
local terms energy: -80.675755
where:
bonds (distance) C4'-P energy: -16.591
bonds (distance) P-C4' energy: -13.710
flat angles C4'-P-C4' energy: -17.972
flat angles P-C4'-P energy: -13.194
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: 7, replica: 1
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -121.437608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.437608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.437608 (E_RNA)
where:
Base-Base interactions energy: -56.897
where: short stacking energy: -50.980
Base-Backbone interact. energy: -0.199
local terms energy: -64.342077
where:
bonds (distance) C4'-P energy: -13.570
bonds (distance) P-C4' energy: -13.487
flat angles C4'-P-C4' energy: -11.402
flat angles P-C4'-P energy: -14.124
tors. eta vs tors. theta energy: -11.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -192.719312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.719312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.719312 (E_RNA)
where:
Base-Base interactions energy: -123.260
where: short stacking energy: -60.113
Base-Backbone interact. energy: -0.489
local terms energy: -68.970135
where:
bonds (distance) C4'-P energy: -18.123
bonds (distance) P-C4' energy: -10.709
flat angles C4'-P-C4' energy: -21.551
flat angles P-C4'-P energy: -8.700
tors. eta vs tors. theta energy: -9.887
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: 9, replica: 9
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -112.251149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.251149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.251149 (E_RNA)
where:
Base-Base interactions energy: -41.318
where: short stacking energy: -23.218
Base-Backbone interact. energy: 0.586
local terms energy: -71.519860
where:
bonds (distance) C4'-P energy: -19.545
bonds (distance) P-C4' energy: -22.323
flat angles C4'-P-C4' energy: -12.573
flat angles P-C4'-P energy: -13.550
tors. eta vs tors. theta energy: -3.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -114.407326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.407326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.407326 (E_RNA)
where:
Base-Base interactions energy: -46.669
where: short stacking energy: -40.637
Base-Backbone interact. energy: 1.095
local terms energy: -68.833359
where:
bonds (distance) C4'-P energy: -21.090
bonds (distance) P-C4' energy: -20.859
flat angles C4'-P-C4' energy: -10.533
flat angles P-C4'-P energy: -9.195
tors. eta vs tors. theta energy: -7.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -329.226034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.226034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.226034 (E_RNA)
where:
Base-Base interactions energy: -219.058
where: short stacking energy: -94.481
Base-Backbone interact. energy: -0.015
local terms energy: -110.152856
where:
bonds (distance) C4'-P energy: -21.570
bonds (distance) P-C4' energy: -22.930
flat angles C4'-P-C4' energy: -21.260
flat angles P-C4'-P energy: -16.704
tors. eta vs tors. theta energy: -27.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -326.741058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.741058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.741058 (E_RNA)
where:
Base-Base interactions energy: -226.435
where: short stacking energy: -89.266
Base-Backbone interact. energy: 2.246
local terms energy: -102.552703
where:
bonds (distance) C4'-P energy: -19.066
bonds (distance) P-C4' energy: -24.498
flat angles C4'-P-C4' energy: -23.853
flat angles P-C4'-P energy: -12.387
tors. eta vs tors. theta energy: -22.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -329.519130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.519130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.519130 (E_RNA)
where:
Base-Base interactions energy: -226.349
where: short stacking energy: -95.624
Base-Backbone interact. energy: -0.858
local terms energy: -102.312382
where:
bonds (distance) C4'-P energy: -22.591
bonds (distance) P-C4' energy: -19.110
flat angles C4'-P-C4' energy: -19.214
flat angles P-C4'-P energy: -16.005
tors. eta vs tors. theta energy: -25.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -291.395636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.395636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.395636 (E_RNA)
where:
Base-Base interactions energy: -197.460
where: short stacking energy: -82.670
Base-Backbone interact. energy: -0.111
local terms energy: -93.824231
where:
bonds (distance) C4'-P energy: -20.993
bonds (distance) P-C4' energy: -17.875
flat angles C4'-P-C4' energy: -22.705
flat angles P-C4'-P energy: -12.012
tors. eta vs tors. theta energy: -20.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -297.600620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.600620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.600620 (E_RNA)
where:
Base-Base interactions energy: -206.499
where: short stacking energy: -72.492
Base-Backbone interact. energy: 0.568
local terms energy: -91.669565
where:
bonds (distance) C4'-P energy: -18.804
bonds (distance) P-C4' energy: -17.494
flat angles C4'-P-C4' energy: -19.883
flat angles P-C4'-P energy: -12.832
tors. eta vs tors. theta energy: -22.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -232.512496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.512496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.512496 (E_RNA)
where:
Base-Base interactions energy: -149.816
where: short stacking energy: -71.821
Base-Backbone interact. energy: -0.233
local terms energy: -82.463508
where:
bonds (distance) C4'-P energy: -20.974
bonds (distance) P-C4' energy: -15.015
flat angles C4'-P-C4' energy: -21.067
flat angles P-C4'-P energy: -10.342
tors. eta vs tors. theta energy: -15.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -187.696298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.696298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.696298 (E_RNA)
where:
Base-Base interactions energy: -108.481
where: short stacking energy: -48.328
Base-Backbone interact. energy: -0.294
local terms energy: -78.921644
where:
bonds (distance) C4'-P energy: -20.824
bonds (distance) P-C4' energy: -20.883
flat angles C4'-P-C4' energy: -13.677
flat angles P-C4'-P energy: -10.176
tors. eta vs tors. theta energy: -13.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -109.670982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.670982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.670982 (E_RNA)
where:
Base-Base interactions energy: -37.391
where: short stacking energy: -37.391
Base-Backbone interact. energy: -0.336
local terms energy: -71.944289
where:
bonds (distance) C4'-P energy: -14.810
bonds (distance) P-C4' energy: -19.259
flat angles C4'-P-C4' energy: -15.255
flat angles P-C4'-P energy: -15.032
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: 9, replica: 5
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -106.896854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.896854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.896854 (E_RNA)
where:
Base-Base interactions energy: -39.032
where: short stacking energy: -37.876
Base-Backbone interact. energy: -0.161
local terms energy: -67.703401
where:
bonds (distance) C4'-P energy: -14.775
bonds (distance) P-C4' energy: -20.939
flat angles C4'-P-C4' energy: -17.993
flat angles P-C4'-P energy: -9.730
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: 10, replica: 9
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -112.613510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.613510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.613510 (E_RNA)
where:
Base-Base interactions energy: -49.322
where: short stacking energy: -27.711
Base-Backbone interact. energy: -0.324
local terms energy: -62.967302
where:
bonds (distance) C4'-P energy: -12.390
bonds (distance) P-C4' energy: -23.100
flat angles C4'-P-C4' energy: -17.803
flat angles P-C4'-P energy: -8.189
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: 1, replica: 3
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -328.114585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.114585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.114585 (E_RNA)
where:
Base-Base interactions energy: -228.529
where: short stacking energy: -105.064
Base-Backbone interact. energy: -0.630
local terms energy: -98.955751
where:
bonds (distance) C4'-P energy: -14.910
bonds (distance) P-C4' energy: -19.313
flat angles C4'-P-C4' energy: -22.664
flat angles P-C4'-P energy: -11.901
tors. eta vs tors. theta energy: -30.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -333.538511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.538511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.538511 (E_RNA)
where:
Base-Base interactions energy: -232.454
where: short stacking energy: -103.679
Base-Backbone interact. energy: -0.629
local terms energy: -100.455838
where:
bonds (distance) C4'-P energy: -17.482
bonds (distance) P-C4' energy: -20.749
flat angles C4'-P-C4' energy: -20.578
flat angles P-C4'-P energy: -14.738
tors. eta vs tors. theta energy: -26.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -319.990968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.990968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.990968 (E_RNA)
where:
Base-Base interactions energy: -228.461
where: short stacking energy: -88.540
Base-Backbone interact. energy: -0.632
local terms energy: -90.897967
where:
bonds (distance) C4'-P energy: -17.928
bonds (distance) P-C4' energy: -18.380
flat angles C4'-P-C4' energy: -21.154
flat angles P-C4'-P energy: -9.625
tors. eta vs tors. theta energy: -23.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -306.179999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.179999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.179999 (E_RNA)
where:
Base-Base interactions energy: -206.505
where: short stacking energy: -96.176
Base-Backbone interact. energy: -0.359
local terms energy: -99.316351
where:
bonds (distance) C4'-P energy: -20.120
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -19.481
flat angles P-C4'-P energy: -16.450
tors. eta vs tors. theta energy: -27.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -263.100309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.100309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.100309 (E_RNA)
where:
Base-Base interactions energy: -182.860
where: short stacking energy: -68.227
Base-Backbone interact. energy: -0.112
local terms energy: -80.128614
where:
bonds (distance) C4'-P energy: -15.052
bonds (distance) P-C4' energy: -19.460
flat angles C4'-P-C4' energy: -16.863
flat angles P-C4'-P energy: -12.834
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: 6, replica: 10
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -202.435694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.435694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.435694 (E_RNA)
where:
Base-Base interactions energy: -124.682
where: short stacking energy: -58.942
Base-Backbone interact. energy: -0.138
local terms energy: -77.615861
where:
bonds (distance) C4'-P energy: -16.369
bonds (distance) P-C4' energy: -17.354
flat angles C4'-P-C4' energy: -19.244
flat angles P-C4'-P energy: -11.349
tors. eta vs tors. theta energy: -13.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -175.220405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.220405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.220405 (E_RNA)
where:
Base-Base interactions energy: -101.628
where: short stacking energy: -43.857
Base-Backbone interact. energy: -0.470
local terms energy: -73.121583
where:
bonds (distance) C4'-P energy: -16.543
bonds (distance) P-C4' energy: -17.698
flat angles C4'-P-C4' energy: -22.940
flat angles P-C4'-P energy: -10.950
tors. eta vs tors. theta energy: -4.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -152.913077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.913077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.913077 (E_RNA)
where:
Base-Base interactions energy: -92.925
where: short stacking energy: -36.494
Base-Backbone interact. energy: -0.520
local terms energy: -59.467973
where:
bonds (distance) C4'-P energy: -14.345
bonds (distance) P-C4' energy: -18.245
flat angles C4'-P-C4' energy: -15.577
flat angles P-C4'-P energy: -7.510
tors. eta vs tors. theta energy: -3.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -117.740145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.740145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.740145 (E_RNA)
where:
Base-Base interactions energy: -51.650
where: short stacking energy: -30.227
Base-Backbone interact. energy: -0.175
local terms energy: -65.914915
where:
bonds (distance) C4'-P energy: -14.768
bonds (distance) P-C4' energy: -14.910
flat angles C4'-P-C4' energy: -20.124
flat angles P-C4'-P energy: -12.238
tors. eta vs tors. theta energy: -3.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -106.573500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.573500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.573500 (E_RNA)
where:
Base-Base interactions energy: -44.512
where: short stacking energy: -35.028
Base-Backbone interact. energy: -0.506
local terms energy: -61.555533
where:
bonds (distance) C4'-P energy: -17.726
bonds (distance) P-C4' energy: -20.040
flat angles C4'-P-C4' energy: -7.580
flat angles P-C4'-P energy: -9.624
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: 1, replica: 3
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -327.470969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.470969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.470969 (E_RNA)
where:
Base-Base interactions energy: -230.787
where: short stacking energy: -91.181
Base-Backbone interact. energy: -0.160
local terms energy: -96.524323
where:
bonds (distance) C4'-P energy: -19.543
bonds (distance) P-C4' energy: -19.280
flat angles C4'-P-C4' energy: -23.157
flat angles P-C4'-P energy: -12.811
tors. eta vs tors. theta energy: -21.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -323.949245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.949245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.949245 (E_RNA)
where:
Base-Base interactions energy: -223.110
where: short stacking energy: -91.372
Base-Backbone interact. energy: 0.193
local terms energy: -101.032417
where:
bonds (distance) C4'-P energy: -18.359
bonds (distance) P-C4' energy: -16.766
flat angles C4'-P-C4' energy: -21.838
flat angles P-C4'-P energy: -18.634
tors. eta vs tors. theta energy: -25.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -320.046892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.046892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.046892 (E_RNA)
where:
Base-Base interactions energy: -219.151
where: short stacking energy: -97.137
Base-Backbone interact. energy: 0.378
local terms energy: -101.273930
where:
bonds (distance) C4'-P energy: -18.167
bonds (distance) P-C4' energy: -19.995
flat angles C4'-P-C4' energy: -20.772
flat angles P-C4'-P energy: -14.687
tors. eta vs tors. theta energy: -27.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -306.304707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.304707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.304707 (E_RNA)
where:
Base-Base interactions energy: -213.892
where: short stacking energy: -91.036
Base-Backbone interact. energy: 1.652
local terms energy: -94.064484
where:
bonds (distance) C4'-P energy: -22.708
bonds (distance) P-C4' energy: -17.809
flat angles C4'-P-C4' energy: -17.464
flat angles P-C4'-P energy: -11.333
tors. eta vs tors. theta energy: -24.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -278.269699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.269699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.269699 (E_RNA)
where:
Base-Base interactions energy: -193.969
where: short stacking energy: -78.685
Base-Backbone interact. energy: -0.054
local terms energy: -84.246970
where:
bonds (distance) C4'-P energy: -18.444
bonds (distance) P-C4' energy: -18.504
flat angles C4'-P-C4' energy: -19.877
flat angles P-C4'-P energy: -11.060
tors. eta vs tors. theta energy: -16.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -213.719036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.719036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.719036 (E_RNA)
where:
Base-Base interactions energy: -131.926
where: short stacking energy: -67.064
Base-Backbone interact. energy: -0.281
local terms energy: -81.512477
where:
bonds (distance) C4'-P energy: -14.464
bonds (distance) P-C4' energy: -20.003
flat angles C4'-P-C4' energy: -21.634
flat angles P-C4'-P energy: -12.397
tors. eta vs tors. theta energy: -13.014
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: 5
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -132.772622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.772622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.772622 (E_RNA)
where:
Base-Base interactions energy: -46.494
where: short stacking energy: -45.936
Base-Backbone interact. energy: -0.037
local terms energy: -86.241519
where:
bonds (distance) C4'-P energy: -18.175
bonds (distance) P-C4' energy: -21.284
flat angles C4'-P-C4' energy: -17.653
flat angles P-C4'-P energy: -15.142
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: 8, replica: 4
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -122.117430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.117430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.117430 (E_RNA)
where:
Base-Base interactions energy: -54.997
where: short stacking energy: -29.316
Base-Backbone interact. energy: 0.029
local terms energy: -67.149077
where:
bonds (distance) C4'-P energy: -11.861
bonds (distance) P-C4' energy: -21.922
flat angles C4'-P-C4' energy: -13.207
flat angles P-C4'-P energy: -12.046
tors. eta vs tors. theta energy: -8.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -96.086974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.086974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.086974 (E_RNA)
where:
Base-Base interactions energy: -31.545
where: short stacking energy: -29.515
Base-Backbone interact. energy: 0.527
local terms energy: -65.069017
where:
bonds (distance) C4'-P energy: -19.015
bonds (distance) P-C4' energy: -16.819
flat angles C4'-P-C4' energy: -15.952
flat angles P-C4'-P energy: -10.165
tors. eta vs tors. theta energy: -3.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -106.039629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.039629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.039629 (E_RNA)
where:
Base-Base interactions energy: -45.706
where: short stacking energy: -23.246
Base-Backbone interact. energy: -0.755
local terms energy: -59.578388
where:
bonds (distance) C4'-P energy: -10.607
bonds (distance) P-C4' energy: -22.256
flat angles C4'-P-C4' energy: -18.738
flat angles P-C4'-P energy: -9.135
tors. eta vs tors. theta energy: 1.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -338.250740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.250740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.250740 (E_RNA)
where:
Base-Base interactions energy: -236.290
where: short stacking energy: -90.399
Base-Backbone interact. energy: 0.457
local terms energy: -102.417951
where:
bonds (distance) C4'-P energy: -19.210
bonds (distance) P-C4' energy: -25.566
flat angles C4'-P-C4' energy: -19.705
flat angles P-C4'-P energy: -13.649
tors. eta vs tors. theta energy: -24.289
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: 455
Temperature: 0.950000
Total energy: -323.454212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.454212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.454212 (E_RNA)
where:
Base-Base interactions energy: -222.755
where: short stacking energy: -100.747
Base-Backbone interact. energy: 1.014
local terms energy: -101.713544
where:
bonds (distance) C4'-P energy: -19.246
bonds (distance) P-C4' energy: -20.403
flat angles C4'-P-C4' energy: -20.301
flat angles P-C4'-P energy: -16.978
tors. eta vs tors. theta energy: -24.785
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: 455
Temperature: 1.000000
Total energy: -315.321923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.321923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.321923 (E_RNA)
where:
Base-Base interactions energy: -218.776
where: short stacking energy: -92.310
Base-Backbone interact. energy: -0.272
local terms energy: -96.274668
where:
bonds (distance) C4'-P energy: -18.466
bonds (distance) P-C4' energy: -21.868
flat angles C4'-P-C4' energy: -19.829
flat angles P-C4'-P energy: -12.181
tors. eta vs tors. theta energy: -23.931
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: 8
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -287.762703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.762703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.762703 (E_RNA)
where:
Base-Base interactions energy: -199.094
where: short stacking energy: -77.153
Base-Backbone interact. energy: 0.141
local terms energy: -88.809725
where:
bonds (distance) C4'-P energy: -17.656
bonds (distance) P-C4' energy: -18.362
flat angles C4'-P-C4' energy: -20.752
flat angles P-C4'-P energy: -10.130
tors. eta vs tors. theta energy: -21.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -300.339609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.339609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.339609 (E_RNA)
where:
Base-Base interactions energy: -196.833
where: short stacking energy: -86.981
Base-Backbone interact. energy: -0.069
local terms energy: -103.437681
where:
bonds (distance) C4'-P energy: -19.868
bonds (distance) P-C4' energy: -19.889
flat angles C4'-P-C4' energy: -21.229
flat angles P-C4'-P energy: -15.820
tors. eta vs tors. theta energy: -26.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -225.749762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.749762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.749762 (E_RNA)
where:
Base-Base interactions energy: -142.614
where: short stacking energy: -78.824
Base-Backbone interact. energy: 0.939
local terms energy: -84.074355
where:
bonds (distance) C4'-P energy: -18.401
bonds (distance) P-C4' energy: -19.526
flat angles C4'-P-C4' energy: -17.365
flat angles P-C4'-P energy: -10.808
tors. eta vs tors. theta energy: -17.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -143.974408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.974408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.974408 (E_RNA)
where:
Base-Base interactions energy: -68.576
where: short stacking energy: -44.306
Base-Backbone interact. energy: -1.334
local terms energy: -74.063769
where:
bonds (distance) C4'-P energy: -20.158
bonds (distance) P-C4' energy: -17.648
flat angles C4'-P-C4' energy: -20.587
flat angles P-C4'-P energy: -9.858
tors. eta vs tors. theta energy: -5.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -113.930727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.930727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.930727 (E_RNA)
where:
Base-Base interactions energy: -45.145
where: short stacking energy: -44.593
Base-Backbone interact. energy: -0.044
local terms energy: -68.741447
where:
bonds (distance) C4'-P energy: -11.914
bonds (distance) P-C4' energy: -20.134
flat angles C4'-P-C4' energy: -12.694
flat angles P-C4'-P energy: -10.601
tors. eta vs tors. theta energy: -13.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -103.283041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.283041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.283041 (E_RNA)
where:
Base-Base interactions energy: -45.018
where: short stacking energy: -36.175
Base-Backbone interact. energy: 2.831
local terms energy: -61.096502
where:
bonds (distance) C4'-P energy: -17.072
bonds (distance) P-C4' energy: -15.235
flat angles C4'-P-C4' energy: -14.712
flat angles P-C4'-P energy: -8.955
tors. eta vs tors. theta energy: -5.122
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: 10, replica: 1
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -96.724365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.724365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.724365 (E_RNA)
where:
Base-Base interactions energy: -36.470
where: short stacking energy: -35.312
Base-Backbone interact. energy: -0.493
local terms energy: -59.762060
where:
bonds (distance) C4'-P energy: -19.057
bonds (distance) P-C4' energy: -20.328
flat angles C4'-P-C4' energy: -17.740
flat angles P-C4'-P energy: -4.216
tors. eta vs tors. theta energy: 1.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -329.232825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.232825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.232825 (E_RNA)
where:
Base-Base interactions energy: -226.558
where: short stacking energy: -100.430
Base-Backbone interact. energy: -0.188
local terms energy: -102.486950
where:
bonds (distance) C4'-P energy: -21.462
bonds (distance) P-C4' energy: -21.254
flat angles C4'-P-C4' energy: -21.887
flat angles P-C4'-P energy: -10.443
tors. eta vs tors. theta energy: -27.440
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: 3
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -333.037739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.037739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.037739 (E_RNA)
where:
Base-Base interactions energy: -221.426
where: short stacking energy: -99.082
Base-Backbone interact. energy: -1.160
local terms energy: -110.451026
where:
bonds (distance) C4'-P energy: -21.115
bonds (distance) P-C4' energy: -25.105
flat angles C4'-P-C4' energy: -21.458
flat angles P-C4'-P energy: -13.803
tors. eta vs tors. theta energy: -28.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -315.808965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.808965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.808965 (E_RNA)
where:
Base-Base interactions energy: -211.820
where: short stacking energy: -87.309
Base-Backbone interact. energy: -0.090
local terms energy: -103.899299
where:
bonds (distance) C4'-P energy: -20.654
bonds (distance) P-C4' energy: -23.386
flat angles C4'-P-C4' energy: -20.500
flat angles P-C4'-P energy: -16.554
tors. eta vs tors. theta energy: -22.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -284.182998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.182998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.182998 (E_RNA)
where:
Base-Base interactions energy: -204.035
where: short stacking energy: -74.931
Base-Backbone interact. energy: -0.036
local terms energy: -80.112733
where:
bonds (distance) C4'-P energy: -12.439
bonds (distance) P-C4' energy: -15.368
flat angles C4'-P-C4' energy: -17.340
flat angles P-C4'-P energy: -10.344
tors. eta vs tors. theta energy: -24.621
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: 7
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -305.100443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.100443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.100443 (E_RNA)
where:
Base-Base interactions energy: -204.340
where: short stacking energy: -82.827
Base-Backbone interact. energy: -0.202
local terms energy: -100.558560
where:
bonds (distance) C4'-P energy: -20.270
bonds (distance) P-C4' energy: -20.634
flat angles C4'-P-C4' energy: -19.649
flat angles P-C4'-P energy: -12.035
tors. eta vs tors. theta energy: -27.971
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: 10
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -213.950192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.950192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.950192 (E_RNA)
where:
Base-Base interactions energy: -141.107
where: short stacking energy: -54.653
Base-Backbone interact. energy: -0.545
local terms energy: -72.297711
where:
bonds (distance) C4'-P energy: -22.170
bonds (distance) P-C4' energy: -15.629
flat angles C4'-P-C4' energy: -19.979
flat angles P-C4'-P energy: -6.405
tors. eta vs tors. theta energy: -8.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -168.601398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.601398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.601398 (E_RNA)
where:
Base-Base interactions energy: -102.667
where: short stacking energy: -42.289
Base-Backbone interact. energy: -0.223
local terms energy: -65.712211
where:
bonds (distance) C4'-P energy: -17.938
bonds (distance) P-C4' energy: -20.880
flat angles C4'-P-C4' energy: -14.044
flat angles P-C4'-P energy: -11.265
tors. eta vs tors. theta energy: -1.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -106.310508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.310508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.310508 (E_RNA)
where:
Base-Base interactions energy: -47.311
where: short stacking energy: -46.699
Base-Backbone interact. energy: -0.283
local terms energy: -58.716840
where:
bonds (distance) C4'-P energy: -13.714
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -21.091
flat angles P-C4'-P energy: -5.988
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: 9, replica: 1
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -112.580835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.580835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.580835 (E_RNA)
where:
Base-Base interactions energy: -51.666
where: short stacking energy: -35.695
Base-Backbone interact. energy: -0.219
local terms energy: -60.695633
where:
bonds (distance) C4'-P energy: -13.728
bonds (distance) P-C4' energy: -17.391
flat angles C4'-P-C4' energy: -17.768
flat angles P-C4'-P energy: -10.014
tors. eta vs tors. theta energy: -1.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -96.825477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.825477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.825477 (E_RNA)
where:
Base-Base interactions energy: -30.954
where: short stacking energy: -27.393
Base-Backbone interact. energy: -0.262
local terms energy: -65.609308
where:
bonds (distance) C4'-P energy: -16.973
bonds (distance) P-C4' energy: -20.874
flat angles C4'-P-C4' energy: -17.653
flat angles P-C4'-P energy: -14.051
tors. eta vs tors. theta energy: 3.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -326.662500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.662500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.662500 (E_RNA)
where:
Base-Base interactions energy: -220.907
where: short stacking energy: -96.916
Base-Backbone interact. energy: -0.468
local terms energy: -105.287471
where:
bonds (distance) C4'-P energy: -17.376
bonds (distance) P-C4' energy: -19.862
flat angles C4'-P-C4' energy: -21.168
flat angles P-C4'-P energy: -17.230
tors. eta vs tors. theta energy: -29.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -326.082522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.082522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.082522 (E_RNA)
where:
Base-Base interactions energy: -237.835
where: short stacking energy: -89.957
Base-Backbone interact. energy: -0.264
local terms energy: -87.983603
where:
bonds (distance) C4'-P energy: -16.354
bonds (distance) P-C4' energy: -20.984
flat angles C4'-P-C4' energy: -17.110
flat angles P-C4'-P energy: -10.586
tors. eta vs tors. theta energy: -22.950
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: 3, replica: 6
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -320.069765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.069765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.069765 (E_RNA)
where:
Base-Base interactions energy: -220.180
where: short stacking energy: -87.490
Base-Backbone interact. energy: -0.392
local terms energy: -99.497606
where:
bonds (distance) C4'-P energy: -19.945
bonds (distance) P-C4' energy: -22.086
flat angles C4'-P-C4' energy: -21.828
flat angles P-C4'-P energy: -9.202
tors. eta vs tors. theta energy: -26.437
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: 7
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -308.454289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.454289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.454289 (E_RNA)
where:
Base-Base interactions energy: -208.660
where: short stacking energy: -84.713
Base-Backbone interact. energy: -0.277
local terms energy: -99.517363
where:
bonds (distance) C4'-P energy: -20.795
bonds (distance) P-C4' energy: -24.467
flat angles C4'-P-C4' energy: -18.263
flat angles P-C4'-P energy: -14.880
tors. eta vs tors. theta energy: -21.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -274.450215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.450215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.450215 (E_RNA)
where:
Base-Base interactions energy: -183.396
where: short stacking energy: -75.428
Base-Backbone interact. energy: -0.137
local terms energy: -90.917351
where:
bonds (distance) C4'-P energy: -14.704
bonds (distance) P-C4' energy: -20.228
flat angles C4'-P-C4' energy: -19.789
flat angles P-C4'-P energy: -13.021
tors. eta vs tors. theta energy: -23.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -210.300700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.300700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.300700 (E_RNA)
where:
Base-Base interactions energy: -132.371
where: short stacking energy: -56.300
Base-Backbone interact. energy: -0.413
local terms energy: -77.516694
where:
bonds (distance) C4'-P energy: -13.782
bonds (distance) P-C4' energy: -20.657
flat angles C4'-P-C4' energy: -17.229
flat angles P-C4'-P energy: -13.016
tors. eta vs tors. theta energy: -12.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -167.866526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.866526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.866526 (E_RNA)
where:
Base-Base interactions energy: -98.818
where: short stacking energy: -47.088
Base-Backbone interact. energy: 1.003
local terms energy: -70.051981
where:
bonds (distance) C4'-P energy: -22.174
bonds (distance) P-C4' energy: -20.185
flat angles C4'-P-C4' energy: -14.632
flat angles P-C4'-P energy: -12.299
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: 8, replica: 4
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -111.108793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.108793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.108793 (E_RNA)
where:
Base-Base interactions energy: -54.962
where: short stacking energy: -32.991
Base-Backbone interact. energy: -0.097
local terms energy: -56.049833
where:
bonds (distance) C4'-P energy: -16.494
bonds (distance) P-C4' energy: -14.002
flat angles C4'-P-C4' energy: -14.779
flat angles P-C4'-P energy: -12.572
tors. eta vs tors. theta energy: 1.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -110.770639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.770639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.770639 (E_RNA)
where:
Base-Base interactions energy: -38.614
where: short stacking energy: -38.587
Base-Backbone interact. energy: 0.556
local terms energy: -72.713510
where:
bonds (distance) C4'-P energy: -14.598
bonds (distance) P-C4' energy: -22.651
flat angles C4'-P-C4' energy: -14.693
flat angles P-C4'-P energy: -13.279
tors. eta vs tors. theta energy: -7.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -104.057558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.057558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.057558 (E_RNA)
where:
Base-Base interactions energy: -36.635
where: short stacking energy: -36.635
Base-Backbone interact. energy: 0.652
local terms energy: -68.074213
where:
bonds (distance) C4'-P energy: -19.607
bonds (distance) P-C4' energy: -17.618
flat angles C4'-P-C4' energy: -12.331
flat angles P-C4'-P energy: -9.915
tors. eta vs tors. theta energy: -8.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -333.228752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.228752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.228752 (E_RNA)
where:
Base-Base interactions energy: -227.678
where: short stacking energy: -99.324
Base-Backbone interact. energy: -0.123
local terms energy: -105.427305
where:
bonds (distance) C4'-P energy: -19.817
bonds (distance) P-C4' energy: -17.661
flat angles C4'-P-C4' energy: -23.901
flat angles P-C4'-P energy: -13.575
tors. eta vs tors. theta energy: -30.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -330.742973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.742973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.742973 (E_RNA)
where:
Base-Base interactions energy: -233.696
where: short stacking energy: -92.366
Base-Backbone interact. energy: -0.102
local terms energy: -96.944481
where:
bonds (distance) C4'-P energy: -21.409
bonds (distance) P-C4' energy: -21.287
flat angles C4'-P-C4' energy: -21.963
flat angles P-C4'-P energy: -7.582
tors. eta vs tors. theta energy: -24.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -317.566502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.566502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.566502 (E_RNA)
where:
Base-Base interactions energy: -219.628
where: short stacking energy: -87.376
Base-Backbone interact. energy: -0.176
local terms energy: -97.763064
where:
bonds (distance) C4'-P energy: -19.380
bonds (distance) P-C4' energy: -20.470
flat angles C4'-P-C4' energy: -22.148
flat angles P-C4'-P energy: -14.512
tors. eta vs tors. theta energy: -21.253
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: 4, replica: 7
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -311.269211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.269211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.269211 (E_RNA)
where:
Base-Base interactions energy: -209.941
where: short stacking energy: -91.467
Base-Backbone interact. energy: -0.173
local terms energy: -101.154958
where:
bonds (distance) C4'-P energy: -18.181
bonds (distance) P-C4' energy: -19.825
flat angles C4'-P-C4' energy: -22.774
flat angles P-C4'-P energy: -16.567
tors. eta vs tors. theta energy: -23.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -282.980590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.980590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.980590 (E_RNA)
where:
Base-Base interactions energy: -194.135
where: short stacking energy: -82.421
Base-Backbone interact. energy: -0.951
local terms energy: -87.894932
where:
bonds (distance) C4'-P energy: -20.264
bonds (distance) P-C4' energy: -13.881
flat angles C4'-P-C4' energy: -19.318
flat angles P-C4'-P energy: -11.476
tors. eta vs tors. theta energy: -22.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -205.745235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.745235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.745235 (E_RNA)
where:
Base-Base interactions energy: -130.353
where: short stacking energy: -62.477
Base-Backbone interact. energy: -0.527
local terms energy: -74.865365
where:
bonds (distance) C4'-P energy: -17.787
bonds (distance) P-C4' energy: -16.345
flat angles C4'-P-C4' energy: -19.914
flat angles P-C4'-P energy: -9.653
tors. eta vs tors. theta energy: -11.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -138.784256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.784256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.784256 (E_RNA)
where:
Base-Base interactions energy: -61.223
where: short stacking energy: -40.528
Base-Backbone interact. energy: -0.894
local terms energy: -76.666789
where:
bonds (distance) C4'-P energy: -21.216
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -18.864
flat angles P-C4'-P energy: -13.537
tors. eta vs tors. theta energy: -5.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -113.416123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.416123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.416123 (E_RNA)
where:
Base-Base interactions energy: -42.204
where: short stacking energy: -37.922
Base-Backbone interact. energy: -0.172
local terms energy: -71.039826
where:
bonds (distance) C4'-P energy: -16.503
bonds (distance) P-C4' energy: -17.273
flat angles C4'-P-C4' energy: -18.654
flat angles P-C4'-P energy: -14.596
tors. eta vs tors. theta energy: -4.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -107.611972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.611972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.611972 (E_RNA)
where:
Base-Base interactions energy: -45.814
where: short stacking energy: -45.778
Base-Backbone interact. energy: -0.140
local terms energy: -61.657907
where:
bonds (distance) C4'-P energy: -17.367
bonds (distance) P-C4' energy: -15.306
flat angles C4'-P-C4' energy: -14.919
flat angles P-C4'-P energy: -9.037
tors. eta vs tors. theta energy: -5.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -100.761197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.761197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.761197 (E_RNA)
where:
Base-Base interactions energy: -34.340
where: short stacking energy: -33.328
Base-Backbone interact. energy: -0.162
local terms energy: -66.259585
where:
bonds (distance) C4'-P energy: -20.677
bonds (distance) P-C4' energy: -16.066
flat angles C4'-P-C4' energy: -16.877
flat angles P-C4'-P energy: -9.533
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: 1, replica: 2
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -327.650920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.650920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.650920 (E_RNA)
where:
Base-Base interactions energy: -224.353
where: short stacking energy: -93.930
Base-Backbone interact. energy: -0.210
local terms energy: -103.088020
where:
bonds (distance) C4'-P energy: -19.301
bonds (distance) P-C4' energy: -23.454
flat angles C4'-P-C4' energy: -21.786
flat angles P-C4'-P energy: -11.579
tors. eta vs tors. theta energy: -26.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -318.488429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.488429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.488429 (E_RNA)
where:
Base-Base interactions energy: -223.339
where: short stacking energy: -89.952
Base-Backbone interact. energy: 0.678
local terms energy: -95.827199
where:
bonds (distance) C4'-P energy: -17.582
bonds (distance) P-C4' energy: -23.600
flat angles C4'-P-C4' energy: -22.982
flat angles P-C4'-P energy: -11.048
tors. eta vs tors. theta energy: -20.615
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: 3
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -327.059469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.059469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.059469 (E_RNA)
where:
Base-Base interactions energy: -220.414
where: short stacking energy: -94.404
Base-Backbone interact. energy: 0.112
local terms energy: -106.757389
where:
bonds (distance) C4'-P energy: -20.612
bonds (distance) P-C4' energy: -22.898
flat angles C4'-P-C4' energy: -21.870
flat angles P-C4'-P energy: -12.540
tors. eta vs tors. theta energy: -28.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -313.340380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.340380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.340380 (E_RNA)
where:
Base-Base interactions energy: -211.318
where: short stacking energy: -86.611
Base-Backbone interact. energy: -0.372
local terms energy: -101.650701
where:
bonds (distance) C4'-P energy: -17.975
bonds (distance) P-C4' energy: -20.848
flat angles C4'-P-C4' energy: -18.694
flat angles P-C4'-P energy: -15.238
tors. eta vs tors. theta energy: -28.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -290.517899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.517899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.517899 (E_RNA)
where:
Base-Base interactions energy: -205.788
where: short stacking energy: -72.358
Base-Backbone interact. energy: 1.323
local terms energy: -86.053057
where:
bonds (distance) C4'-P energy: -19.087
bonds (distance) P-C4' energy: -21.630
flat angles C4'-P-C4' energy: -17.983
flat angles P-C4'-P energy: -10.349
tors. eta vs tors. theta energy: -17.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -182.623579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.623579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.623579 (E_RNA)
where:
Base-Base interactions energy: -96.044
where: short stacking energy: -56.149
Base-Backbone interact. energy: -0.053
local terms energy: -86.526504
where:
bonds (distance) C4'-P energy: -18.906
bonds (distance) P-C4' energy: -22.297
flat angles C4'-P-C4' energy: -19.295
flat angles P-C4'-P energy: -12.779
tors. eta vs tors. theta energy: -13.250
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: 5
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -144.798820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.798820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.798820 (E_RNA)
where:
Base-Base interactions energy: -77.734
where: short stacking energy: -37.381
Base-Backbone interact. energy: -0.256
local terms energy: -66.809165
where:
bonds (distance) C4'-P energy: -17.234
bonds (distance) P-C4' energy: -20.035
flat angles C4'-P-C4' energy: -15.409
flat angles P-C4'-P energy: -13.072
tors. eta vs tors. theta energy: -1.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -108.358903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.358903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.358903 (E_RNA)
where:
Base-Base interactions energy: -42.272
where: short stacking energy: -40.774
Base-Backbone interact. energy: -0.254
local terms energy: -65.832159
where:
bonds (distance) C4'-P energy: -19.308
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -16.402
flat angles P-C4'-P energy: -8.826
tors. eta vs tors. theta energy: -4.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -120.635640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.635640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.635640 (E_RNA)
where:
Base-Base interactions energy: -67.555
where: short stacking energy: -46.741
Base-Backbone interact. energy: -0.297
local terms energy: -52.783682
where:
bonds (distance) C4'-P energy: -11.232
bonds (distance) P-C4' energy: -12.202
flat angles C4'-P-C4' energy: -14.218
flat angles P-C4'-P energy: -5.580
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: 10, replica: 1
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -101.966595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.966595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.966595 (E_RNA)
where:
Base-Base interactions energy: -40.214
where: short stacking energy: -22.888
Base-Backbone interact. energy: -0.515
local terms energy: -61.238079
where:
bonds (distance) C4'-P energy: -19.956
bonds (distance) P-C4' energy: -23.186
flat angles C4'-P-C4' energy: -10.619
flat angles P-C4'-P energy: -9.629
tors. eta vs tors. theta energy: 2.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -327.000739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.000739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.000739 (E_RNA)
where:
Base-Base interactions energy: -226.149
where: short stacking energy: -93.802
Base-Backbone interact. energy: -0.103
local terms energy: -100.748432
where:
bonds (distance) C4'-P energy: -18.902
bonds (distance) P-C4' energy: -21.384
flat angles C4'-P-C4' energy: -20.507
flat angles P-C4'-P energy: -15.152
tors. eta vs tors. theta energy: -24.803
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: 2, replica: 2
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -330.495607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.495607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.495607 (E_RNA)
where:
Base-Base interactions energy: -225.664
where: short stacking energy: -97.594
Base-Backbone interact. energy: -0.108
local terms energy: -104.723751
where:
bonds (distance) C4'-P energy: -21.159
bonds (distance) P-C4' energy: -16.933
flat angles C4'-P-C4' energy: -21.932
flat angles P-C4'-P energy: -16.858
tors. eta vs tors. theta energy: -27.842
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: 3
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -327.186955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.186955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.186955 (E_RNA)
where:
Base-Base interactions energy: -215.867
where: short stacking energy: -95.344
Base-Backbone interact. energy: -0.183
local terms energy: -111.137130
where:
bonds (distance) C4'-P energy: -22.452
bonds (distance) P-C4' energy: -21.392
flat angles C4'-P-C4' energy: -20.462
flat angles P-C4'-P energy: -19.675
tors. eta vs tors. theta energy: -27.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -305.479165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.479165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.479165 (E_RNA)
where:
Base-Base interactions energy: -207.244
where: short stacking energy: -90.236
Base-Backbone interact. energy: 0.974
local terms energy: -99.208874
where:
bonds (distance) C4'-P energy: -20.460
bonds (distance) P-C4' energy: -19.688
flat angles C4'-P-C4' energy: -19.198
flat angles P-C4'-P energy: -16.646
tors. eta vs tors. theta energy: -23.217
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: 8
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -264.621335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.621335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.621335 (E_RNA)
where:
Base-Base interactions energy: -182.595
where: short stacking energy: -73.708
Base-Backbone interact. energy: -0.266
local terms energy: -81.760327
where:
bonds (distance) C4'-P energy: -18.394
bonds (distance) P-C4' energy: -14.557
flat angles C4'-P-C4' energy: -17.957
flat angles P-C4'-P energy: -10.549
tors. eta vs tors. theta energy: -20.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -180.270777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.270777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.270777 (E_RNA)
where:
Base-Base interactions energy: -98.843
where: short stacking energy: -53.018
Base-Backbone interact. energy: -0.093
local terms energy: -81.334352
where:
bonds (distance) C4'-P energy: -19.350
bonds (distance) P-C4' energy: -19.316
flat angles C4'-P-C4' energy: -19.008
flat angles P-C4'-P energy: -11.244
tors. eta vs tors. theta energy: -12.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -105.068889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.068889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.068889 (E_RNA)
where:
Base-Base interactions energy: -46.426
where: short stacking energy: -33.540
Base-Backbone interact. energy: -0.334
local terms energy: -58.309216
where:
bonds (distance) C4'-P energy: -15.955
bonds (distance) P-C4' energy: -19.743
flat angles C4'-P-C4' energy: -12.220
flat angles P-C4'-P energy: -9.357
tors. eta vs tors. theta energy: -1.034
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: 5
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -114.338149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.338149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.338149 (E_RNA)
where:
Base-Base interactions energy: -45.935
where: short stacking energy: -36.807
Base-Backbone interact. energy: 0.167
local terms energy: -68.570020
where:
bonds (distance) C4'-P energy: -14.446
bonds (distance) P-C4' energy: -17.792
flat angles C4'-P-C4' energy: -22.715
flat angles P-C4'-P energy: -10.912
tors. eta vs tors. theta energy: -2.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -98.688052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.688052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.688052 (E_RNA)
where:
Base-Base interactions energy: -38.680
where: short stacking energy: -27.987
Base-Backbone interact. energy: -0.149
local terms energy: -59.859206
where:
bonds (distance) C4'-P energy: -17.024
bonds (distance) P-C4' energy: -19.377
flat angles C4'-P-C4' energy: -16.596
flat angles P-C4'-P energy: -7.173
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: 10, replica: 4
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -96.597859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.597859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.597859 (E_RNA)
where:
Base-Base interactions energy: -34.789
where: short stacking energy: -27.516
Base-Backbone interact. energy: 0.559
local terms energy: -62.367688
where:
bonds (distance) C4'-P energy: -18.542
bonds (distance) P-C4' energy: -20.809
flat angles C4'-P-C4' energy: -14.622
flat angles P-C4'-P energy: -7.776
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: 6
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -331.266548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.266548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.266548 (E_RNA)
where:
Base-Base interactions energy: -234.514
where: short stacking energy: -92.927
Base-Backbone interact. energy: -0.110
local terms energy: -96.642464
where:
bonds (distance) C4'-P energy: -19.599
bonds (distance) P-C4' energy: -21.092
flat angles C4'-P-C4' energy: -21.467
flat angles P-C4'-P energy: -11.980
tors. eta vs tors. theta energy: -22.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -324.207510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.207510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.207510 (E_RNA)
where:
Base-Base interactions energy: -222.297
where: short stacking energy: -96.683
Base-Backbone interact. energy: -0.241
local terms energy: -101.669886
where:
bonds (distance) C4'-P energy: -18.334
bonds (distance) P-C4' energy: -22.126
flat angles C4'-P-C4' energy: -23.102
flat angles P-C4'-P energy: -13.553
tors. eta vs tors. theta energy: -24.555
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: 2
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -324.566137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.566137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.566137 (E_RNA)
where:
Base-Base interactions energy: -224.673
where: short stacking energy: -88.487
Base-Backbone interact. energy: -0.564
local terms energy: -99.328753
where:
bonds (distance) C4'-P energy: -18.662
bonds (distance) P-C4' energy: -17.502
flat angles C4'-P-C4' energy: -23.821
flat angles P-C4'-P energy: -14.518
tors. eta vs tors. theta energy: -24.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -315.255207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.255207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.255207 (E_RNA)
where:
Base-Base interactions energy: -216.541
where: short stacking energy: -83.479
Base-Backbone interact. energy: -0.545
local terms energy: -98.169287
where:
bonds (distance) C4'-P energy: -22.756
bonds (distance) P-C4' energy: -19.954
flat angles C4'-P-C4' energy: -23.646
flat angles P-C4'-P energy: -10.362
tors. eta vs tors. theta energy: -21.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -281.399167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.399167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.399167 (E_RNA)
where:
Base-Base interactions energy: -193.182
where: short stacking energy: -79.705
Base-Backbone interact. energy: -0.012
local terms energy: -88.205081
where:
bonds (distance) C4'-P energy: -15.239
bonds (distance) P-C4' energy: -21.076
flat angles C4'-P-C4' energy: -18.175
flat angles P-C4'-P energy: -10.543
tors. eta vs tors. theta energy: -23.171
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: 6, replica: 10
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -189.629332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.629332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.629332 (E_RNA)
where:
Base-Base interactions energy: -116.521
where: short stacking energy: -67.567
Base-Backbone interact. energy: 2.363
local terms energy: -75.470613
where:
bonds (distance) C4'-P energy: -15.007
bonds (distance) P-C4' energy: -20.035
flat angles C4'-P-C4' energy: -18.107
flat angles P-C4'-P energy: -7.450
tors. eta vs tors. theta energy: -14.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -124.784567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.784567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.784567 (E_RNA)
where:
Base-Base interactions energy: -60.621
where: short stacking energy: -38.686
Base-Backbone interact. energy: 0.636
local terms energy: -64.799360
where:
bonds (distance) C4'-P energy: -16.687
bonds (distance) P-C4' energy: -22.382
flat angles C4'-P-C4' energy: -5.637
flat angles P-C4'-P energy: -16.333
tors. eta vs tors. theta energy: -3.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -120.336993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.336993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.336993 (E_RNA)
where:
Base-Base interactions energy: -57.206
where: short stacking energy: -44.463
Base-Backbone interact. energy: 0.742
local terms energy: -63.872550
where:
bonds (distance) C4'-P energy: -14.888
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -15.607
flat angles P-C4'-P energy: -17.394
tors. eta vs tors. theta energy: -0.046
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: 1
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -97.684966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.684966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.684966 (E_RNA)
where:
Base-Base interactions energy: -36.505
where: short stacking energy: -24.885
Base-Backbone interact. energy: 1.523
local terms energy: -62.703447
where:
bonds (distance) C4'-P energy: -14.981
bonds (distance) P-C4' energy: -17.689
flat angles C4'-P-C4' energy: -17.833
flat angles P-C4'-P energy: -11.967
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: 10, replica: 4
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -110.855773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.855773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.855773 (E_RNA)
where:
Base-Base interactions energy: -59.736
where: short stacking energy: -32.275
Base-Backbone interact. energy: 0.578
local terms energy: -51.697265
where:
bonds (distance) C4'-P energy: -16.042
bonds (distance) P-C4' energy: -15.844
flat angles C4'-P-C4' energy: -8.271
flat angles P-C4'-P energy: -13.220
tors. eta vs tors. theta energy: 1.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -324.804669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.804669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.804669 (E_RNA)
where:
Base-Base interactions energy: -221.515
where: short stacking energy: -98.846
Base-Backbone interact. energy: -0.450
local terms energy: -102.840512
where:
bonds (distance) C4'-P energy: -18.948
bonds (distance) P-C4' energy: -19.812
flat angles C4'-P-C4' energy: -22.090
flat angles P-C4'-P energy: -14.675
tors. eta vs tors. theta energy: -27.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -328.494405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.494405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.494405 (E_RNA)
where:
Base-Base interactions energy: -231.547
where: short stacking energy: -94.408
Base-Backbone interact. energy: -0.664
local terms energy: -96.283363
where:
bonds (distance) C4'-P energy: -18.575
bonds (distance) P-C4' energy: -21.175
flat angles C4'-P-C4' energy: -21.903
flat angles P-C4'-P energy: -9.662
tors. eta vs tors. theta energy: -24.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -301.670322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.670322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.670322 (E_RNA)
where:
Base-Base interactions energy: -205.613
where: short stacking energy: -92.086
Base-Backbone interact. energy: -0.322
local terms energy: -95.735176
where:
bonds (distance) C4'-P energy: -14.615
bonds (distance) P-C4' energy: -22.267
flat angles C4'-P-C4' energy: -22.236
flat angles P-C4'-P energy: -13.018
tors. eta vs tors. theta energy: -23.599
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: 7
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -306.468934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.468934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.468934 (E_RNA)
where:
Base-Base interactions energy: -214.828
where: short stacking energy: -91.381
Base-Backbone interact. energy: -0.130
local terms energy: -91.510838
where:
bonds (distance) C4'-P energy: -16.490
bonds (distance) P-C4' energy: -16.446
flat angles C4'-P-C4' energy: -20.043
flat angles P-C4'-P energy: -11.640
tors. eta vs tors. theta energy: -26.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -280.299298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.299298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.299298 (E_RNA)
where:
Base-Base interactions energy: -190.177
where: short stacking energy: -71.796
Base-Backbone interact. energy: -0.605
local terms energy: -89.517734
where:
bonds (distance) C4'-P energy: -17.896
bonds (distance) P-C4' energy: -22.498
flat angles C4'-P-C4' energy: -16.302
flat angles P-C4'-P energy: -7.782
tors. eta vs tors. theta energy: -25.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -180.581068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.581068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.581068 (E_RNA)
where:
Base-Base interactions energy: -112.406
where: short stacking energy: -43.899
Base-Backbone interact. energy: -1.105
local terms energy: -67.070471
where:
bonds (distance) C4'-P energy: -14.811
bonds (distance) P-C4' energy: -20.389
flat angles C4'-P-C4' energy: -19.270
flat angles P-C4'-P energy: -11.031
tors. eta vs tors. theta energy: -1.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -143.626132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.626132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.626132 (E_RNA)
where:
Base-Base interactions energy: -69.885
where: short stacking energy: -55.667
Base-Backbone interact. energy: -1.634
local terms energy: -72.107286
where:
bonds (distance) C4'-P energy: -16.361
bonds (distance) P-C4' energy: -17.198
flat angles C4'-P-C4' energy: -18.415
flat angles P-C4'-P energy: -8.914
tors. eta vs tors. theta energy: -11.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -113.782244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.782244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.782244 (E_RNA)
where:
Base-Base interactions energy: -45.229
where: short stacking energy: -45.177
Base-Backbone interact. energy: -0.128
local terms energy: -68.425611
where:
bonds (distance) C4'-P energy: -18.148
bonds (distance) P-C4' energy: -20.083
flat angles C4'-P-C4' energy: -10.698
flat angles P-C4'-P energy: -10.982
tors. eta vs tors. theta energy: -8.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -113.014782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.014782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.014782 (E_RNA)
where:
Base-Base interactions energy: -53.183
where: short stacking energy: -29.203
Base-Backbone interact. energy: -0.246
local terms energy: -59.586127
where:
bonds (distance) C4'-P energy: -10.113
bonds (distance) P-C4' energy: -14.533
flat angles C4'-P-C4' energy: -15.045
flat angles P-C4'-P energy: -16.880
tors. eta vs tors. theta energy: -3.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -89.725041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.725041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.725041 (E_RNA)
where:
Base-Base interactions energy: -24.973
where: short stacking energy: -11.068
Base-Backbone interact. energy: 1.989
local terms energy: -66.741170
where:
bonds (distance) C4'-P energy: -20.017
bonds (distance) P-C4' energy: -18.611
flat angles C4'-P-C4' energy: -20.492
flat angles P-C4'-P energy: -14.279
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: 1, replica: 3
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -331.392812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.392812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.392812 (E_RNA)
where:
Base-Base interactions energy: -223.717
where: short stacking energy: -96.234
Base-Backbone interact. energy: -0.130
local terms energy: -107.546286
where:
bonds (distance) C4'-P energy: -21.014
bonds (distance) P-C4' energy: -22.729
flat angles C4'-P-C4' energy: -20.734
flat angles P-C4'-P energy: -13.475
tors. eta vs tors. theta energy: -29.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -326.471687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.471687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.471687 (E_RNA)
where:
Base-Base interactions energy: -226.506
where: short stacking energy: -91.007
Base-Backbone interact. energy: -0.143
local terms energy: -99.823001
where:
bonds (distance) C4'-P energy: -18.701
bonds (distance) P-C4' energy: -21.197
flat angles C4'-P-C4' energy: -20.570
flat angles P-C4'-P energy: -12.476
tors. eta vs tors. theta energy: -26.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -323.500264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.500264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.500264 (E_RNA)
where:
Base-Base interactions energy: -218.154
where: short stacking energy: -95.196
Base-Backbone interact. energy: -0.091
local terms energy: -105.254998
where:
bonds (distance) C4'-P energy: -21.942
bonds (distance) P-C4' energy: -20.226
flat angles C4'-P-C4' energy: -19.376
flat angles P-C4'-P energy: -16.455
tors. eta vs tors. theta energy: -27.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -324.645866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.645866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.645866 (E_RNA)
where:
Base-Base interactions energy: -224.643
where: short stacking energy: -96.449
Base-Backbone interact. energy: -0.132
local terms energy: -99.871002
where:
bonds (distance) C4'-P energy: -20.405
bonds (distance) P-C4' energy: -20.943
flat angles C4'-P-C4' energy: -21.926
flat angles P-C4'-P energy: -8.549
tors. eta vs tors. theta energy: -28.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -271.874691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.874691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.874691 (E_RNA)
where:
Base-Base interactions energy: -184.198
where: short stacking energy: -74.318
Base-Backbone interact. energy: -0.703
local terms energy: -86.974025
where:
bonds (distance) C4'-P energy: -12.402
bonds (distance) P-C4' energy: -19.505
flat angles C4'-P-C4' energy: -19.079
flat angles P-C4'-P energy: -11.824
tors. eta vs tors. theta energy: -24.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -174.827514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.827514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.827514 (E_RNA)
where:
Base-Base interactions energy: -95.830
where: short stacking energy: -46.626
Base-Backbone interact. energy: 1.639
local terms energy: -80.636050
where:
bonds (distance) C4'-P energy: -18.578
bonds (distance) P-C4' energy: -19.318
flat angles C4'-P-C4' energy: -18.856
flat angles P-C4'-P energy: -14.809
tors. eta vs tors. theta energy: -9.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -109.016395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.016395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.016395 (E_RNA)
where:
Base-Base interactions energy: -43.483
where: short stacking energy: -40.895
Base-Backbone interact. energy: -0.357
local terms energy: -65.176494
where:
bonds (distance) C4'-P energy: -14.804
bonds (distance) P-C4' energy: -22.620
flat angles C4'-P-C4' energy: -16.441
flat angles P-C4'-P energy: -6.053
tors. eta vs tors. theta energy: -5.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -105.946605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.946605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.946605 (E_RNA)
where:
Base-Base interactions energy: -42.695
where: short stacking energy: -31.842
Base-Backbone interact. energy: -0.197
local terms energy: -63.054239
where:
bonds (distance) C4'-P energy: -18.642
bonds (distance) P-C4' energy: -16.958
flat angles C4'-P-C4' energy: -16.623
flat angles P-C4'-P energy: -11.260
tors. eta vs tors. theta energy: 0.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -118.945408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.945408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.945408 (E_RNA)
where:
Base-Base interactions energy: -47.225
where: short stacking energy: -33.734
Base-Backbone interact. energy: 0.651
local terms energy: -72.372226
where:
bonds (distance) C4'-P energy: -15.148
bonds (distance) P-C4' energy: -21.993
flat angles C4'-P-C4' energy: -16.596
flat angles P-C4'-P energy: -16.230
tors. eta vs tors. theta energy: -2.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -87.189865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.189865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.189865 (E_RNA)
where:
Base-Base interactions energy: -31.049
where: short stacking energy: -24.619
Base-Backbone interact. energy: 0.084
local terms energy: -56.225254
where:
bonds (distance) C4'-P energy: -9.708
bonds (distance) P-C4' energy: -16.378
flat angles C4'-P-C4' energy: -15.335
flat angles P-C4'-P energy: -13.696
tors. eta vs tors. theta energy: -1.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -332.812884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.812884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.812884 (E_RNA)
where:
Base-Base interactions energy: -226.601
where: short stacking energy: -98.203
Base-Backbone interact. energy: -0.720
local terms energy: -105.491951
where:
bonds (distance) C4'-P energy: -16.172
bonds (distance) P-C4' energy: -21.168
flat angles C4'-P-C4' energy: -20.779
flat angles P-C4'-P energy: -16.440
tors. eta vs tors. theta energy: -30.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -328.776508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.776508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.776508 (E_RNA)
where:
Base-Base interactions energy: -229.140
where: short stacking energy: -99.004
Base-Backbone interact. energy: -0.510
local terms energy: -99.126598
where:
bonds (distance) C4'-P energy: -15.471
bonds (distance) P-C4' energy: -20.213
flat angles C4'-P-C4' energy: -23.689
flat angles P-C4'-P energy: -14.112
tors. eta vs tors. theta energy: -25.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -320.477679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.477679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.477679 (E_RNA)
where:
Base-Base interactions energy: -224.498
where: short stacking energy: -91.901
Base-Backbone interact. energy: -0.182
local terms energy: -95.798158
where:
bonds (distance) C4'-P energy: -11.088
bonds (distance) P-C4' energy: -21.120
flat angles C4'-P-C4' energy: -22.124
flat angles P-C4'-P energy: -15.600
tors. eta vs tors. theta energy: -25.866
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: 7
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -304.660055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.660055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.660055 (E_RNA)
where:
Base-Base interactions energy: -218.545
where: short stacking energy: -91.465
Base-Backbone interact. energy: -0.455
local terms energy: -85.660416
where:
bonds (distance) C4'-P energy: -19.040
bonds (distance) P-C4' energy: -13.453
flat angles C4'-P-C4' energy: -19.685
flat angles P-C4'-P energy: -11.532
tors. eta vs tors. theta energy: -21.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -277.720635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.720635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.720635 (E_RNA)
where:
Base-Base interactions energy: -190.762
where: short stacking energy: -75.303
Base-Backbone interact. energy: -0.126
local terms energy: -86.832002
where:
bonds (distance) C4'-P energy: -17.910
bonds (distance) P-C4' energy: -23.582
flat angles C4'-P-C4' energy: -16.965
flat angles P-C4'-P energy: -8.536
tors. eta vs tors. theta energy: -19.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -193.851507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.851507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.851507 (E_RNA)
where:
Base-Base interactions energy: -114.675
where: short stacking energy: -64.260
Base-Backbone interact. energy: -0.364
local terms energy: -78.812325
where:
bonds (distance) C4'-P energy: -17.475
bonds (distance) P-C4' energy: -21.021
flat angles C4'-P-C4' energy: -17.282
flat angles P-C4'-P energy: -11.178
tors. eta vs tors. theta energy: -11.856
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: 5
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -132.332326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.332326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.332326 (E_RNA)
where:
Base-Base interactions energy: -74.756
where: short stacking energy: -43.430
Base-Backbone interact. energy: -0.238
local terms energy: -57.338365
where:
bonds (distance) C4'-P energy: -15.028
bonds (distance) P-C4' energy: -19.315
flat angles C4'-P-C4' energy: -6.819
flat angles P-C4'-P energy: -12.301
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: 8, replica: 4
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -118.307706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.307706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.307706 (E_RNA)
where:
Base-Base interactions energy: -50.147
where: short stacking energy: -45.768
Base-Backbone interact. energy: -0.314
local terms energy: -67.846929
where:
bonds (distance) C4'-P energy: -12.772
bonds (distance) P-C4' energy: -21.799
flat angles C4'-P-C4' energy: -15.687
flat angles P-C4'-P energy: -11.273
tors. eta vs tors. theta energy: -6.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -104.255664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.255664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.255664 (E_RNA)
where:
Base-Base interactions energy: -42.574
where: short stacking energy: -34.996
Base-Backbone interact. energy: -0.093
local terms energy: -61.589313
where:
bonds (distance) C4'-P energy: -19.867
bonds (distance) P-C4' energy: -11.000
flat angles C4'-P-C4' energy: -16.811
flat angles P-C4'-P energy: -11.595
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: 10, replica: 1
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -105.780878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.780878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.780878 (E_RNA)
where:
Base-Base interactions energy: -45.329
where: short stacking energy: -37.176
Base-Backbone interact. energy: -0.088
local terms energy: -60.364236
where:
bonds (distance) C4'-P energy: -15.090
bonds (distance) P-C4' energy: -14.283
flat angles C4'-P-C4' energy: -12.918
flat angles P-C4'-P energy: -11.306
tors. eta vs tors. theta energy: -6.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -329.883439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.883439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.883439 (E_RNA)
where:
Base-Base interactions energy: -228.093
where: short stacking energy: -99.588
Base-Backbone interact. energy: 1.908
local terms energy: -103.698813
where:
bonds (distance) C4'-P energy: -20.086
bonds (distance) P-C4' energy: -17.557
flat angles C4'-P-C4' energy: -19.721
flat angles P-C4'-P energy: -15.393
tors. eta vs tors. theta energy: -30.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -332.316894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.316894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.316894 (E_RNA)
where:
Base-Base interactions energy: -230.874
where: short stacking energy: -106.821
Base-Backbone interact. energy: -0.154
local terms energy: -101.289317
where:
bonds (distance) C4'-P energy: -16.805
bonds (distance) P-C4' energy: -19.731
flat angles C4'-P-C4' energy: -20.998
flat angles P-C4'-P energy: -17.441
tors. eta vs tors. theta energy: -26.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -315.746788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.746788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.746788 (E_RNA)
where:
Base-Base interactions energy: -224.546
where: short stacking energy: -88.489
Base-Backbone interact. energy: -0.026
local terms energy: -91.174796
where:
bonds (distance) C4'-P energy: -21.364
bonds (distance) P-C4' energy: -19.828
flat angles C4'-P-C4' energy: -14.494
flat angles P-C4'-P energy: -11.145
tors. eta vs tors. theta energy: -24.343
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: 4, replica: 7
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -302.359037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.359037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.359037 (E_RNA)
where:
Base-Base interactions energy: -199.809
where: short stacking energy: -72.029
Base-Backbone interact. energy: -0.762
local terms energy: -101.788052
where:
bonds (distance) C4'-P energy: -19.420
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -21.513
flat angles P-C4'-P energy: -20.154
tors. eta vs tors. theta energy: -23.804
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: 8
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -248.656889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.656889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.656889 (E_RNA)
where:
Base-Base interactions energy: -161.064
where: short stacking energy: -74.056
Base-Backbone interact. energy: -0.500
local terms energy: -87.092859
where:
bonds (distance) C4'-P energy: -15.103
bonds (distance) P-C4' energy: -17.693
flat angles C4'-P-C4' energy: -17.792
flat angles P-C4'-P energy: -15.961
tors. eta vs tors. theta energy: -20.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -138.097322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.097322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.097322 (E_RNA)
where:
Base-Base interactions energy: -57.619
where: short stacking energy: -55.172
Base-Backbone interact. energy: 0.439
local terms energy: -80.917020
where:
bonds (distance) C4'-P energy: -20.360
bonds (distance) P-C4' energy: -19.114
flat angles C4'-P-C4' energy: -12.088
flat angles P-C4'-P energy: -16.328
tors. eta vs tors. theta energy: -13.027
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: 10
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -171.326700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.326700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.326700 (E_RNA)
where:
Base-Base interactions energy: -95.740
where: short stacking energy: -46.527
Base-Backbone interact. energy: -0.099
local terms energy: -75.487894
where:
bonds (distance) C4'-P energy: -16.587
bonds (distance) P-C4' energy: -22.418
flat angles C4'-P-C4' energy: -19.764
flat angles P-C4'-P energy: -14.006
tors. eta vs tors. theta energy: -2.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -117.244535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.244535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.244535 (E_RNA)
where:
Base-Base interactions energy: -54.652
where: short stacking energy: -24.430
Base-Backbone interact. energy: 0.226
local terms energy: -62.818267
where:
bonds (distance) C4'-P energy: -14.876
bonds (distance) P-C4' energy: -16.860
flat angles C4'-P-C4' energy: -18.141
flat angles P-C4'-P energy: -11.661
tors. eta vs tors. theta energy: -1.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -107.747900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.747900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.747900 (E_RNA)
where:
Base-Base interactions energy: -30.930
where: short stacking energy: -30.930
Base-Backbone interact. energy: -0.217
local terms energy: -76.601324
where:
bonds (distance) C4'-P energy: -20.621
bonds (distance) P-C4' energy: -20.565
flat angles C4'-P-C4' energy: -20.418
flat angles P-C4'-P energy: -14.639
tors. eta vs tors. theta energy: -0.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -96.028711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.028711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.028711 (E_RNA)
where:
Base-Base interactions energy: -30.488
where: short stacking energy: -29.639
Base-Backbone interact. energy: -1.454
local terms energy: -64.086082
where:
bonds (distance) C4'-P energy: -11.083
bonds (distance) P-C4' energy: -20.351
flat angles C4'-P-C4' energy: -13.593
flat angles P-C4'-P energy: -15.317
tors. eta vs tors. theta energy: -3.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -333.978549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.978549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.978549 (E_RNA)
where:
Base-Base interactions energy: -230.147
where: short stacking energy: -104.209
Base-Backbone interact. energy: 0.774
local terms energy: -104.605378
where:
bonds (distance) C4'-P energy: -19.172
bonds (distance) P-C4' energy: -21.013
flat angles C4'-P-C4' energy: -22.089
flat angles P-C4'-P energy: -14.800
tors. eta vs tors. theta energy: -27.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -327.247142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.247142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.247142 (E_RNA)
where:
Base-Base interactions energy: -218.647
where: short stacking energy: -92.954
Base-Backbone interact. energy: 0.067
local terms energy: -108.667829
where:
bonds (distance) C4'-P energy: -20.679
bonds (distance) P-C4' energy: -21.879
flat angles C4'-P-C4' energy: -23.252
flat angles P-C4'-P energy: -13.516
tors. eta vs tors. theta energy: -29.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -323.597693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.597693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.597693 (E_RNA)
where:
Base-Base interactions energy: -222.267
where: short stacking energy: -98.153
Base-Backbone interact. energy: -0.388
local terms energy: -100.942401
where:
bonds (distance) C4'-P energy: -20.381
bonds (distance) P-C4' energy: -18.723
flat angles C4'-P-C4' energy: -19.905
flat angles P-C4'-P energy: -12.941
tors. eta vs tors. theta energy: -28.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -310.156744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.156744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.156744 (E_RNA)
where:
Base-Base interactions energy: -211.760
where: short stacking energy: -82.527
Base-Backbone interact. energy: -0.313
local terms energy: -98.084175
where:
bonds (distance) C4'-P energy: -20.824
bonds (distance) P-C4' energy: -21.369
flat angles C4'-P-C4' energy: -21.767
flat angles P-C4'-P energy: -12.001
tors. eta vs tors. theta energy: -22.122
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: 8
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -263.584215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.584215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.584215 (E_RNA)
where:
Base-Base interactions energy: -180.407
where: short stacking energy: -64.825
Base-Backbone interact. energy: -0.487
local terms energy: -82.690254
where:
bonds (distance) C4'-P energy: -16.435
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -21.239
flat angles P-C4'-P energy: -16.592
tors. eta vs tors. theta energy: -11.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -143.054678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.054678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.054678 (E_RNA)
where:
Base-Base interactions energy: -69.373
where: short stacking energy: -60.321
Base-Backbone interact. energy: 1.193
local terms energy: -74.874213
where:
bonds (distance) C4'-P energy: -18.688
bonds (distance) P-C4' energy: -19.450
flat angles C4'-P-C4' energy: -16.366
flat angles P-C4'-P energy: -11.381
tors. eta vs tors. theta energy: -8.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -185.817548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.817548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.817548 (E_RNA)
where:
Base-Base interactions energy: -104.751
where: short stacking energy: -46.851
Base-Backbone interact. energy: -0.447
local terms energy: -80.619643
where:
bonds (distance) C4'-P energy: -18.009
bonds (distance) P-C4' energy: -22.864
flat angles C4'-P-C4' energy: -17.712
flat angles P-C4'-P energy: -11.526
tors. eta vs tors. theta energy: -10.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -115.229725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.229725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.229725 (E_RNA)
where:
Base-Base interactions energy: -42.153
where: short stacking energy: -37.637
Base-Backbone interact. energy: -0.345
local terms energy: -72.732049
where:
bonds (distance) C4'-P energy: -20.419
bonds (distance) P-C4' energy: -20.651
flat angles C4'-P-C4' energy: -17.205
flat angles P-C4'-P energy: -10.328
tors. eta vs tors. theta energy: -4.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -100.387348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.387348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.387348 (E_RNA)
where:
Base-Base interactions energy: -25.126
where: short stacking energy: -18.454
Base-Backbone interact. energy: -0.151
local terms energy: -75.110502
where:
bonds (distance) C4'-P energy: -18.231
bonds (distance) P-C4' energy: -21.078
flat angles C4'-P-C4' energy: -19.511
flat angles P-C4'-P energy: -13.528
tors. eta vs tors. theta energy: -2.763
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: 466
Temperature: 1.350000
Total energy: -104.946293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.946293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.946293 (E_RNA)
where:
Base-Base interactions energy: -36.563
where: short stacking energy: -36.408
Base-Backbone interact. energy: 0.145
local terms energy: -68.528545
where:
bonds (distance) C4'-P energy: -20.547
bonds (distance) P-C4' energy: -23.963
flat angles C4'-P-C4' energy: -14.081
flat angles P-C4'-P energy: -8.372
tors. eta vs tors. theta energy: -1.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -328.691881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.691881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.691881 (E_RNA)
where:
Base-Base interactions energy: -224.237
where: short stacking energy: -104.371
Base-Backbone interact. energy: -0.264
local terms energy: -104.190669
where:
bonds (distance) C4'-P energy: -17.708
bonds (distance) P-C4' energy: -20.782
flat angles C4'-P-C4' energy: -24.050
flat angles P-C4'-P energy: -17.501
tors. eta vs tors. theta energy: -24.150
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: 467
Temperature: 0.950000
Total energy: -331.418300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.418300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.418300 (E_RNA)
where:
Base-Base interactions energy: -228.453
where: short stacking energy: -97.997
Base-Backbone interact. energy: -0.541
local terms energy: -102.424387
where:
bonds (distance) C4'-P energy: -14.926
bonds (distance) P-C4' energy: -19.048
flat angles C4'-P-C4' energy: -22.627
flat angles P-C4'-P energy: -15.902
tors. eta vs tors. theta energy: -29.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -319.825639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.825639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.825639 (E_RNA)
where:
Base-Base interactions energy: -219.340
where: short stacking energy: -102.673
Base-Backbone interact. energy: -0.113
local terms energy: -100.372701
where:
bonds (distance) C4'-P energy: -16.493
bonds (distance) P-C4' energy: -22.902
flat angles C4'-P-C4' energy: -19.914
flat angles P-C4'-P energy: -13.106
tors. eta vs tors. theta energy: -27.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -320.317676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.317676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.317676 (E_RNA)
where:
Base-Base interactions energy: -219.043
where: short stacking energy: -92.123
Base-Backbone interact. energy: 0.431
local terms energy: -101.705118
where:
bonds (distance) C4'-P energy: -20.439
bonds (distance) P-C4' energy: -19.356
flat angles C4'-P-C4' energy: -21.517
flat angles P-C4'-P energy: -15.563
tors. eta vs tors. theta energy: -24.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -281.323899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.323899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.323899 (E_RNA)
where:
Base-Base interactions energy: -192.979
where: short stacking energy: -84.481
Base-Backbone interact. energy: -0.011
local terms energy: -88.333644
where:
bonds (distance) C4'-P energy: -19.662
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -14.637
flat angles P-C4'-P energy: -13.585
tors. eta vs tors. theta energy: -25.207
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: 6, replica: 10
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -190.232677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.232677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.232677 (E_RNA)
where:
Base-Base interactions energy: -108.579
where: short stacking energy: -58.831
Base-Backbone interact. energy: -0.141
local terms energy: -81.512417
where:
bonds (distance) C4'-P energy: -18.790
bonds (distance) P-C4' energy: -15.779
flat angles C4'-P-C4' energy: -21.285
flat angles P-C4'-P energy: -12.334
tors. eta vs tors. theta energy: -13.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -134.183929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.183929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.183929 (E_RNA)
where:
Base-Base interactions energy: -71.903
where: short stacking energy: -44.978
Base-Backbone interact. energy: -0.169
local terms energy: -62.112068
where:
bonds (distance) C4'-P energy: -17.831
bonds (distance) P-C4' energy: -13.832
flat angles C4'-P-C4' energy: -20.471
flat angles P-C4'-P energy: -5.473
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: 8, replica: 1
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -126.448665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.448665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.448665 (E_RNA)
where:
Base-Base interactions energy: -60.808
where: short stacking energy: -44.473
Base-Backbone interact. energy: -2.299
local terms energy: -63.341721
where:
bonds (distance) C4'-P energy: -13.874
bonds (distance) P-C4' energy: -19.410
flat angles C4'-P-C4' energy: -14.979
flat angles P-C4'-P energy: -9.202
tors. eta vs tors. theta energy: -5.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -124.368749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.368749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.368749 (E_RNA)
where:
Base-Base interactions energy: -58.806
where: short stacking energy: -38.550
Base-Backbone interact. energy: -1.091
local terms energy: -64.471664
where:
bonds (distance) C4'-P energy: -10.859
bonds (distance) P-C4' energy: -18.429
flat angles C4'-P-C4' energy: -14.556
flat angles P-C4'-P energy: -14.320
tors. eta vs tors. theta energy: -6.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -109.364339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.364339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.364339 (E_RNA)
where:
Base-Base interactions energy: -47.159
where: short stacking energy: -31.299
Base-Backbone interact. energy: -0.685
local terms energy: -61.520439
where:
bonds (distance) C4'-P energy: -17.416
bonds (distance) P-C4' energy: -22.396
flat angles C4'-P-C4' energy: -11.382
flat angles P-C4'-P energy: -11.142
tors. eta vs tors. theta energy: 0.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -330.988529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.988529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.988529 (E_RNA)
where:
Base-Base interactions energy: -223.302
where: short stacking energy: -100.526
Base-Backbone interact. energy: -0.113
local terms energy: -107.573415
where:
bonds (distance) C4'-P energy: -15.323
bonds (distance) P-C4' energy: -22.461
flat angles C4'-P-C4' energy: -23.653
flat angles P-C4'-P energy: -17.368
tors. eta vs tors. theta energy: -28.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -324.953871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.953871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.953871 (E_RNA)
where:
Base-Base interactions energy: -219.404
where: short stacking energy: -98.685
Base-Backbone interact. energy: 1.401
local terms energy: -106.951792
where:
bonds (distance) C4'-P energy: -19.479
bonds (distance) P-C4' energy: -17.388
flat angles C4'-P-C4' energy: -23.034
flat angles P-C4'-P energy: -16.893
tors. eta vs tors. theta energy: -30.158
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: 6
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -318.136869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.136869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.136869 (E_RNA)
where:
Base-Base interactions energy: -219.416
where: short stacking energy: -92.148
Base-Backbone interact. energy: -0.642
local terms energy: -98.078902
where:
bonds (distance) C4'-P energy: -18.935
bonds (distance) P-C4' energy: -19.779
flat angles C4'-P-C4' energy: -20.979
flat angles P-C4'-P energy: -14.210
tors. eta vs tors. theta energy: -24.176
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: 3
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -306.743794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.743794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.743794 (E_RNA)
where:
Base-Base interactions energy: -204.172
where: short stacking energy: -80.335
Base-Backbone interact. energy: -0.220
local terms energy: -102.352374
where:
bonds (distance) C4'-P energy: -22.696
bonds (distance) P-C4' energy: -18.823
flat angles C4'-P-C4' energy: -20.884
flat angles P-C4'-P energy: -18.160
tors. eta vs tors. theta energy: -21.789
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: 8
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -283.123752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.123752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.123752 (E_RNA)
where:
Base-Base interactions energy: -191.459
where: short stacking energy: -81.986
Base-Backbone interact. energy: -0.019
local terms energy: -91.645629
where:
bonds (distance) C4'-P energy: -17.651
bonds (distance) P-C4' energy: -19.967
flat angles C4'-P-C4' energy: -19.517
flat angles P-C4'-P energy: -11.196
tors. eta vs tors. theta energy: -23.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -191.430586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.430586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.430586 (E_RNA)
where:
Base-Base interactions energy: -118.072
where: short stacking energy: -53.024
Base-Backbone interact. energy: -0.566
local terms energy: -72.792259
where:
bonds (distance) C4'-P energy: -17.343
bonds (distance) P-C4' energy: -20.809
flat angles C4'-P-C4' energy: -14.983
flat angles P-C4'-P energy: -12.194
tors. eta vs tors. theta energy: -7.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -157.546908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.546908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.546908 (E_RNA)
where:
Base-Base interactions energy: -90.226
where: short stacking energy: -54.375
Base-Backbone interact. energy: -0.783
local terms energy: -66.537039
where:
bonds (distance) C4'-P energy: -7.484
bonds (distance) P-C4' energy: -16.136
flat angles C4'-P-C4' energy: -18.467
flat angles P-C4'-P energy: -18.299
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: 1
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -116.863235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.863235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.863235 (E_RNA)
where:
Base-Base interactions energy: -48.332
where: short stacking energy: -39.134
Base-Backbone interact. energy: -0.164
local terms energy: -68.366489
where:
bonds (distance) C4'-P energy: -15.923
bonds (distance) P-C4' energy: -20.153
flat angles C4'-P-C4' energy: -14.101
flat angles P-C4'-P energy: -9.037
tors. eta vs tors. theta energy: -9.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -113.922519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.922519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.922519 (E_RNA)
where:
Base-Base interactions energy: -41.675
where: short stacking energy: -41.675
Base-Backbone interact. energy: -0.257
local terms energy: -71.990541
where:
bonds (distance) C4'-P energy: -16.480
bonds (distance) P-C4' energy: -20.437
flat angles C4'-P-C4' energy: -19.223
flat angles P-C4'-P energy: -10.573
tors. eta vs tors. theta energy: -5.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -134.914245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.914245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.914245 (E_RNA)
where:
Base-Base interactions energy: -66.013
where: short stacking energy: -44.656
Base-Backbone interact. energy: -0.417
local terms energy: -68.484440
where:
bonds (distance) C4'-P energy: -19.153
bonds (distance) P-C4' energy: -15.743
flat angles C4'-P-C4' energy: -17.730
flat angles P-C4'-P energy: -12.269
tors. eta vs tors. theta energy: -3.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -328.520593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.520593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.520593 (E_RNA)
where:
Base-Base interactions energy: -223.715
where: short stacking energy: -96.431
Base-Backbone interact. energy: -0.875
local terms energy: -103.930868
where:
bonds (distance) C4'-P energy: -19.554
bonds (distance) P-C4' energy: -21.820
flat angles C4'-P-C4' energy: -21.981
flat angles P-C4'-P energy: -10.371
tors. eta vs tors. theta energy: -30.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -320.660378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.660378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.660378 (E_RNA)
where:
Base-Base interactions energy: -226.254
where: short stacking energy: -94.709
Base-Backbone interact. energy: -0.326
local terms energy: -94.080625
where:
bonds (distance) C4'-P energy: -13.546
bonds (distance) P-C4' energy: -15.801
flat angles C4'-P-C4' energy: -23.352
flat angles P-C4'-P energy: -15.035
tors. eta vs tors. theta energy: -26.347
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: 3, replica: 2
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -318.413909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.413909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.413909 (E_RNA)
where:
Base-Base interactions energy: -221.077
where: short stacking energy: -98.782
Base-Backbone interact. energy: 1.658
local terms energy: -98.995360
where:
bonds (distance) C4'-P energy: -19.213
bonds (distance) P-C4' energy: -16.079
flat angles C4'-P-C4' energy: -21.501
flat angles P-C4'-P energy: -12.162
tors. eta vs tors. theta energy: -30.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -308.505018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.505018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.505018 (E_RNA)
where:
Base-Base interactions energy: -202.485
where: short stacking energy: -92.828
Base-Backbone interact. energy: -0.036
local terms energy: -105.983406
where:
bonds (distance) C4'-P energy: -22.434
bonds (distance) P-C4' energy: -24.600
flat angles C4'-P-C4' energy: -23.654
flat angles P-C4'-P energy: -15.429
tors. eta vs tors. theta energy: -19.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -289.011644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.011644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.011644 (E_RNA)
where:
Base-Base interactions energy: -187.992
where: short stacking energy: -71.588
Base-Backbone interact. energy: -0.107
local terms energy: -100.911967
where:
bonds (distance) C4'-P energy: -22.331
bonds (distance) P-C4' energy: -21.024
flat angles C4'-P-C4' energy: -18.333
flat angles P-C4'-P energy: -11.875
tors. eta vs tors. theta energy: -27.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -203.987424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.987424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.987424 (E_RNA)
where:
Base-Base interactions energy: -130.892
where: short stacking energy: -57.465
Base-Backbone interact. energy: -0.886
local terms energy: -72.209792
where:
bonds (distance) C4'-P energy: -12.427
bonds (distance) P-C4' energy: -20.333
flat angles C4'-P-C4' energy: -15.224
flat angles P-C4'-P energy: -11.015
tors. eta vs tors. theta energy: -13.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -176.507088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.507088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.507088 (E_RNA)
where:
Base-Base interactions energy: -109.643
where: short stacking energy: -45.445
Base-Backbone interact. energy: 0.523
local terms energy: -67.386799
where:
bonds (distance) C4'-P energy: -15.479
bonds (distance) P-C4' energy: -16.494
flat angles C4'-P-C4' energy: -13.445
flat angles P-C4'-P energy: -9.432
tors. eta vs tors. theta energy: -12.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -121.419677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.419677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.419677 (E_RNA)
where:
Base-Base interactions energy: -47.355
where: short stacking energy: -46.419
Base-Backbone interact. energy: -0.048
local terms energy: -74.016674
where:
bonds (distance) C4'-P energy: -22.681
bonds (distance) P-C4' energy: -21.545
flat angles C4'-P-C4' energy: -16.008
flat angles P-C4'-P energy: -10.776
tors. eta vs tors. theta energy: -3.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -110.819839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.819839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.819839 (E_RNA)
where:
Base-Base interactions energy: -44.366
where: short stacking energy: -32.926
Base-Backbone interact. energy: -0.158
local terms energy: -66.296025
where:
bonds (distance) C4'-P energy: -8.623
bonds (distance) P-C4' energy: -23.070
flat angles C4'-P-C4' energy: -23.176
flat angles P-C4'-P energy: -7.359
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: 469
Temperature: 1.350000
Total energy: -99.491076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.491076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.491076 (E_RNA)
where:
Base-Base interactions energy: -31.120
where: short stacking energy: -29.038
Base-Backbone interact. energy: 1.143
local terms energy: -69.514338
where:
bonds (distance) C4'-P energy: -19.949
bonds (distance) P-C4' energy: -17.549
flat angles C4'-P-C4' energy: -17.364
flat angles P-C4'-P energy: -14.224
tors. eta vs tors. theta energy: -0.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -335.360079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.360079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.360079 (E_RNA)
where:
Base-Base interactions energy: -234.860
where: short stacking energy: -92.401
Base-Backbone interact. energy: -0.603
local terms energy: -99.897867
where:
bonds (distance) C4'-P energy: -15.545
bonds (distance) P-C4' energy: -21.160
flat angles C4'-P-C4' energy: -23.490
flat angles P-C4'-P energy: -15.383
tors. eta vs tors. theta energy: -24.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -318.717800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.717800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.717800 (E_RNA)
where:
Base-Base interactions energy: -223.369
where: short stacking energy: -99.213
Base-Backbone interact. energy: -0.105
local terms energy: -95.244473
where:
bonds (distance) C4'-P energy: -13.473
bonds (distance) P-C4' energy: -18.808
flat angles C4'-P-C4' energy: -23.162
flat angles P-C4'-P energy: -16.755
tors. eta vs tors. theta energy: -23.047
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: 470
Temperature: 1.000000
Total energy: -315.331797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.331797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.331797 (E_RNA)
where:
Base-Base interactions energy: -212.200
where: short stacking energy: -91.559
Base-Backbone interact. energy: -0.250
local terms energy: -102.882217
where:
bonds (distance) C4'-P energy: -22.895
bonds (distance) P-C4' energy: -21.229
flat angles C4'-P-C4' energy: -22.680
flat angles P-C4'-P energy: -9.481
tors. eta vs tors. theta energy: -26.597
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: 3
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -315.125372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.125372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.125372 (E_RNA)
where:
Base-Base interactions energy: -210.595
where: short stacking energy: -97.523
Base-Backbone interact. energy: -0.149
local terms energy: -104.380789
where:
bonds (distance) C4'-P energy: -22.973
bonds (distance) P-C4' energy: -16.763
flat angles C4'-P-C4' energy: -21.970
flat angles P-C4'-P energy: -13.999
tors. eta vs tors. theta energy: -28.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -276.674272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.674272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.674272 (E_RNA)
where:
Base-Base interactions energy: -187.899
where: short stacking energy: -80.502
Base-Backbone interact. energy: -0.076
local terms energy: -88.698768
where:
bonds (distance) C4'-P energy: -16.426
bonds (distance) P-C4' energy: -15.804
flat angles C4'-P-C4' energy: -20.721
flat angles P-C4'-P energy: -14.157
tors. eta vs tors. theta energy: -21.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -222.381327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.381327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.381327 (E_RNA)
where:
Base-Base interactions energy: -141.096
where: short stacking energy: -61.234
Base-Backbone interact. energy: -0.858
local terms energy: -80.427053
where:
bonds (distance) C4'-P energy: -16.207
bonds (distance) P-C4' energy: -22.074
flat angles C4'-P-C4' energy: -16.363
flat angles P-C4'-P energy: -11.946
tors. eta vs tors. theta energy: -13.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -182.726584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.726584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.726584 (E_RNA)
where:
Base-Base interactions energy: -104.688
where: short stacking energy: -61.642
Base-Backbone interact. energy: -0.266
local terms energy: -77.773076
where:
bonds (distance) C4'-P energy: -15.012
bonds (distance) P-C4' energy: -17.711
flat angles C4'-P-C4' energy: -16.942
flat angles P-C4'-P energy: -15.033
tors. eta vs tors. theta energy: -13.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -115.147441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.147441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.147441 (E_RNA)
where:
Base-Base interactions energy: -46.071
where: short stacking energy: -32.821
Base-Backbone interact. energy: -0.220
local terms energy: -68.856228
where:
bonds (distance) C4'-P energy: -18.021
bonds (distance) P-C4' energy: -19.734
flat angles C4'-P-C4' energy: -17.758
flat angles P-C4'-P energy: -9.027
tors. eta vs tors. theta energy: -4.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -122.602586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.602586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.602586 (E_RNA)
where:
Base-Base interactions energy: -58.221
where: short stacking energy: -28.045
Base-Backbone interact. energy: -0.237
local terms energy: -64.144589
where:
bonds (distance) C4'-P energy: -17.955
bonds (distance) P-C4' energy: -15.408
flat angles C4'-P-C4' energy: -16.841
flat angles P-C4'-P energy: -12.843
tors. eta vs tors. theta energy: -1.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -101.897901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.897901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.897901 (E_RNA)
where:
Base-Base interactions energy: -33.730
where: short stacking energy: -23.700
Base-Backbone interact. energy: -0.367
local terms energy: -67.801705
where:
bonds (distance) C4'-P energy: -18.214
bonds (distance) P-C4' energy: -18.589
flat angles C4'-P-C4' energy: -16.878
flat angles P-C4'-P energy: -14.286
tors. eta vs tors. theta energy: 0.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -338.736516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.736516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.736516 (E_RNA)
where:
Base-Base interactions energy: -234.316
where: short stacking energy: -96.688
Base-Backbone interact. energy: 0.032
local terms energy: -104.452054
where:
bonds (distance) C4'-P energy: -20.878
bonds (distance) P-C4' energy: -22.463
flat angles C4'-P-C4' energy: -21.243
flat angles P-C4'-P energy: -15.478
tors. eta vs tors. theta energy: -24.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -321.997008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.997008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.997008 (E_RNA)
where:
Base-Base interactions energy: -221.590
where: short stacking energy: -104.174
Base-Backbone interact. energy: -0.419
local terms energy: -99.988227
where:
bonds (distance) C4'-P energy: -16.713
bonds (distance) P-C4' energy: -18.512
flat angles C4'-P-C4' energy: -21.604
flat angles P-C4'-P energy: -14.174
tors. eta vs tors. theta energy: -28.986
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: 471
Temperature: 1.000000
Total energy: -318.502926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.502926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.502926 (E_RNA)
where:
Base-Base interactions energy: -214.896
where: short stacking energy: -86.168
Base-Backbone interact. energy: -0.251
local terms energy: -103.356233
where:
bonds (distance) C4'-P energy: -20.538
bonds (distance) P-C4' energy: -21.066
flat angles C4'-P-C4' energy: -22.357
flat angles P-C4'-P energy: -13.309
tors. eta vs tors. theta energy: -26.085
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: 8
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -289.325312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.325312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.325312 (E_RNA)
where:
Base-Base interactions energy: -195.135
where: short stacking energy: -81.716
Base-Backbone interact. energy: -0.103
local terms energy: -94.087692
where:
bonds (distance) C4'-P energy: -17.046
bonds (distance) P-C4' energy: -23.027
flat angles C4'-P-C4' energy: -17.105
flat angles P-C4'-P energy: -14.906
tors. eta vs tors. theta energy: -22.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -309.232208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.232208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.232208 (E_RNA)
where:
Base-Base interactions energy: -212.038
where: short stacking energy: -92.652
Base-Backbone interact. energy: -0.577
local terms energy: -96.617325
where:
bonds (distance) C4'-P energy: -18.282
bonds (distance) P-C4' energy: -15.061
flat angles C4'-P-C4' energy: -22.771
flat angles P-C4'-P energy: -12.354
tors. eta vs tors. theta energy: -28.149
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: 5
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -190.607315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.607315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.607315 (E_RNA)
where:
Base-Base interactions energy: -110.629
where: short stacking energy: -61.923
Base-Backbone interact. energy: -0.479
local terms energy: -79.500060
where:
bonds (distance) C4'-P energy: -15.119
bonds (distance) P-C4' energy: -20.573
flat angles C4'-P-C4' energy: -15.104
flat angles P-C4'-P energy: -10.832
tors. eta vs tors. theta energy: -17.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -169.553645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.553645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.553645 (E_RNA)
where:
Base-Base interactions energy: -95.129
where: short stacking energy: -55.853
Base-Backbone interact. energy: 2.179
local terms energy: -76.604157
where:
bonds (distance) C4'-P energy: -15.997
bonds (distance) P-C4' energy: -21.467
flat angles C4'-P-C4' energy: -14.554
flat angles P-C4'-P energy: -14.703
tors. eta vs tors. theta energy: -9.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -126.816562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.816562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.816562 (E_RNA)
where:
Base-Base interactions energy: -54.135
where: short stacking energy: -52.431
Base-Backbone interact. energy: -0.128
local terms energy: -72.553560
where:
bonds (distance) C4'-P energy: -13.586
bonds (distance) P-C4' energy: -20.235
flat angles C4'-P-C4' energy: -18.247
flat angles P-C4'-P energy: -5.793
tors. eta vs tors. theta energy: -14.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -111.246631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.246631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.246631 (E_RNA)
where:
Base-Base interactions energy: -47.560
where: short stacking energy: -33.377
Base-Backbone interact. energy: 3.260
local terms energy: -66.946148
where:
bonds (distance) C4'-P energy: -20.126
bonds (distance) P-C4' energy: -17.626
flat angles C4'-P-C4' energy: -14.083
flat angles P-C4'-P energy: -9.429
tors. eta vs tors. theta energy: -5.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -95.865597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.865597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.865597 (E_RNA)
where:
Base-Base interactions energy: -25.076
where: short stacking energy: -23.809
Base-Backbone interact. energy: -1.714
local terms energy: -69.075601
where:
bonds (distance) C4'-P energy: -19.063
bonds (distance) P-C4' energy: -17.091
flat angles C4'-P-C4' energy: -18.526
flat angles P-C4'-P energy: -12.445
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: 1, replica: 6
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -326.028289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.028289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.028289 (E_RNA)
where:
Base-Base interactions energy: -223.006
where: short stacking energy: -97.745
Base-Backbone interact. energy: -0.105
local terms energy: -102.917844
where:
bonds (distance) C4'-P energy: -20.306
bonds (distance) P-C4' energy: -21.478
flat angles C4'-P-C4' energy: -21.955
flat angles P-C4'-P energy: -15.026
tors. eta vs tors. theta energy: -24.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -329.327644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.327644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.327644 (E_RNA)
where:
Base-Base interactions energy: -220.855
where: short stacking energy: -94.559
Base-Backbone interact. energy: -1.075
local terms energy: -107.397658
where:
bonds (distance) C4'-P energy: -21.544
bonds (distance) P-C4' energy: -19.868
flat angles C4'-P-C4' energy: -21.343
flat angles P-C4'-P energy: -15.902
tors. eta vs tors. theta energy: -28.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -310.736275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.736275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.736275 (E_RNA)
where:
Base-Base interactions energy: -213.929
where: short stacking energy: -91.746
Base-Backbone interact. energy: 0.140
local terms energy: -96.947356
where:
bonds (distance) C4'-P energy: -16.959
bonds (distance) P-C4' energy: -16.759
flat angles C4'-P-C4' energy: -21.158
flat angles P-C4'-P energy: -15.731
tors. eta vs tors. theta energy: -26.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -285.520959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.520959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.520959 (E_RNA)
where:
Base-Base interactions energy: -198.068
where: short stacking energy: -73.879
Base-Backbone interact. energy: -0.098
local terms energy: -87.354062
where:
bonds (distance) C4'-P energy: -10.748
bonds (distance) P-C4' energy: -22.900
flat angles C4'-P-C4' energy: -19.116
flat angles P-C4'-P energy: -10.879
tors. eta vs tors. theta energy: -23.711
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: 3
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -310.640961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.640961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.640961 (E_RNA)
where:
Base-Base interactions energy: -211.382
where: short stacking energy: -89.561
Base-Backbone interact. energy: -0.685
local terms energy: -98.574579
where:
bonds (distance) C4'-P energy: -19.226
bonds (distance) P-C4' energy: -22.390
flat angles C4'-P-C4' energy: -20.049
flat angles P-C4'-P energy: -10.830
tors. eta vs tors. theta energy: -26.079
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: 5
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -157.275349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.275349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.275349 (E_RNA)
where:
Base-Base interactions energy: -80.755
where: short stacking energy: -48.153
Base-Backbone interact. energy: -1.257
local terms energy: -75.262598
where:
bonds (distance) C4'-P energy: -20.282
bonds (distance) P-C4' energy: -17.333
flat angles C4'-P-C4' energy: -17.127
flat angles P-C4'-P energy: -7.013
tors. eta vs tors. theta energy: -13.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -130.331648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.331648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.331648 (E_RNA)
where:
Base-Base interactions energy: -49.256
where: short stacking energy: -49.256
Base-Backbone interact. energy: -0.054
local terms energy: -81.022264
where:
bonds (distance) C4'-P energy: -18.841
bonds (distance) P-C4' energy: -17.725
flat angles C4'-P-C4' energy: -18.634
flat angles P-C4'-P energy: -9.874
tors. eta vs tors. theta energy: -15.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -168.616617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.616617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.616617 (E_RNA)
where:
Base-Base interactions energy: -97.694
where: short stacking energy: -38.724
Base-Backbone interact. energy: -0.802
local terms energy: -70.120672
where:
bonds (distance) C4'-P energy: -19.077
bonds (distance) P-C4' energy: -18.701
flat angles C4'-P-C4' energy: -15.789
flat angles P-C4'-P energy: -10.107
tors. eta vs tors. theta energy: -6.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -106.258728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.258728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.258728 (E_RNA)
where:
Base-Base interactions energy: -42.069
where: short stacking energy: -31.239
Base-Backbone interact. energy: -0.068
local terms energy: -64.122151
where:
bonds (distance) C4'-P energy: -18.091
bonds (distance) P-C4' energy: -11.984
flat angles C4'-P-C4' energy: -18.794
flat angles P-C4'-P energy: -11.329
tors. eta vs tors. theta energy: -3.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -98.852468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.852468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.852468 (E_RNA)
where:
Base-Base interactions energy: -44.153
where: short stacking energy: -31.439
Base-Backbone interact. energy: -1.131
local terms energy: -53.567986
where:
bonds (distance) C4'-P energy: -18.704
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -7.299
flat angles P-C4'-P energy: -9.750
tors. eta vs tors. theta energy: -2.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -329.904729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.904729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.904729 (E_RNA)
where:
Base-Base interactions energy: -227.564
where: short stacking energy: -91.413
Base-Backbone interact. energy: -0.212
local terms energy: -102.128720
where:
bonds (distance) C4'-P energy: -21.949
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -22.620
flat angles P-C4'-P energy: -16.292
tors. eta vs tors. theta energy: -24.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -320.749849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.749849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.749849 (E_RNA)
where:
Base-Base interactions energy: -218.001
where: short stacking energy: -95.174
Base-Backbone interact. energy: -1.107
local terms energy: -101.642419
where:
bonds (distance) C4'-P energy: -22.864
bonds (distance) P-C4' energy: -18.059
flat angles C4'-P-C4' energy: -19.133
flat angles P-C4'-P energy: -13.224
tors. eta vs tors. theta energy: -28.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -317.134764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.134764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.134764 (E_RNA)
where:
Base-Base interactions energy: -219.938
where: short stacking energy: -95.074
Base-Backbone interact. energy: -0.159
local terms energy: -97.038520
where:
bonds (distance) C4'-P energy: -22.340
bonds (distance) P-C4' energy: -22.123
flat angles C4'-P-C4' energy: -17.524
flat angles P-C4'-P energy: -8.911
tors. eta vs tors. theta energy: -26.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -315.387088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.387088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.387088 (E_RNA)
where:
Base-Base interactions energy: -215.889
where: short stacking energy: -93.108
Base-Backbone interact. energy: -0.566
local terms energy: -98.931826
where:
bonds (distance) C4'-P energy: -19.065
bonds (distance) P-C4' energy: -18.072
flat angles C4'-P-C4' energy: -25.083
flat angles P-C4'-P energy: -11.488
tors. eta vs tors. theta energy: -25.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -274.993881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.993881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.993881 (E_RNA)
where:
Base-Base interactions energy: -185.940
where: short stacking energy: -74.559
Base-Backbone interact. energy: -0.584
local terms energy: -88.470118
where:
bonds (distance) C4'-P energy: -16.949
bonds (distance) P-C4' energy: -20.093
flat angles C4'-P-C4' energy: -16.923
flat angles P-C4'-P energy: -11.296
tors. eta vs tors. theta energy: -23.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -147.876642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.876642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.876642 (E_RNA)
where:
Base-Base interactions energy: -70.231
where: short stacking energy: -62.924
Base-Backbone interact. energy: -0.089
local terms energy: -77.556358
where:
bonds (distance) C4'-P energy: -15.782
bonds (distance) P-C4' energy: -19.001
flat angles C4'-P-C4' energy: -17.051
flat angles P-C4'-P energy: -7.770
tors. eta vs tors. theta energy: -17.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -130.945800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.945800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.945800 (E_RNA)
where:
Base-Base interactions energy: -51.037
where: short stacking energy: -46.099
Base-Backbone interact. energy: -0.274
local terms energy: -79.634443
where:
bonds (distance) C4'-P energy: -15.334
bonds (distance) P-C4' energy: -23.505
flat angles C4'-P-C4' energy: -19.430
flat angles P-C4'-P energy: -15.635
tors. eta vs tors. theta energy: -5.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -105.834744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.834744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.834744 (E_RNA)
where:
Base-Base interactions energy: -40.135
where: short stacking energy: -33.741
Base-Backbone interact. energy: -0.307
local terms energy: -65.391948
where:
bonds (distance) C4'-P energy: -17.554
bonds (distance) P-C4' energy: -22.564
flat angles C4'-P-C4' energy: -15.080
flat angles P-C4'-P energy: -10.799
tors. eta vs tors. theta energy: 0.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -116.256206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.256206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.256206 (E_RNA)
where:
Base-Base interactions energy: -47.190
where: short stacking energy: -41.160
Base-Backbone interact. energy: -0.225
local terms energy: -68.841228
where:
bonds (distance) C4'-P energy: -15.249
bonds (distance) P-C4' energy: -18.208
flat angles C4'-P-C4' energy: -17.315
flat angles P-C4'-P energy: -13.027
tors. eta vs tors. theta energy: -5.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -104.918987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.918987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.918987 (E_RNA)
where:
Base-Base interactions energy: -42.318
where: short stacking energy: -38.272
Base-Backbone interact. energy: 0.625
local terms energy: -63.225192
where:
bonds (distance) C4'-P energy: -14.080
bonds (distance) P-C4' energy: -16.049
flat angles C4'-P-C4' energy: -16.220
flat angles P-C4'-P energy: -13.507
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: 1, replica: 6
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -329.395836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.395836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.395836 (E_RNA)
where:
Base-Base interactions energy: -224.378
where: short stacking energy: -92.807
Base-Backbone interact. energy: -0.630
local terms energy: -104.388066
where:
bonds (distance) C4'-P energy: -23.056
bonds (distance) P-C4' energy: -19.118
flat angles C4'-P-C4' energy: -22.477
flat angles P-C4'-P energy: -16.497
tors. eta vs tors. theta energy: -23.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -320.150732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.150732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.150732 (E_RNA)
where:
Base-Base interactions energy: -227.185
where: short stacking energy: -94.435
Base-Backbone interact. energy: 0.683
local terms energy: -93.648585
where:
bonds (distance) C4'-P energy: -16.033
bonds (distance) P-C4' energy: -17.245
flat angles C4'-P-C4' energy: -21.149
flat angles P-C4'-P energy: -13.467
tors. eta vs tors. theta energy: -25.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -315.882845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.882845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.882845 (E_RNA)
where:
Base-Base interactions energy: -218.915
where: short stacking energy: -96.334
Base-Backbone interact. energy: -0.966
local terms energy: -96.002045
where:
bonds (distance) C4'-P energy: -19.061
bonds (distance) P-C4' energy: -18.445
flat angles C4'-P-C4' energy: -22.518
flat angles P-C4'-P energy: -12.669
tors. eta vs tors. theta energy: -23.308
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: 2
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -316.866000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.866000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.866000 (E_RNA)
where:
Base-Base interactions energy: -223.109
where: short stacking energy: -102.666
Base-Backbone interact. energy: -0.105
local terms energy: -93.652380
where:
bonds (distance) C4'-P energy: -14.725
bonds (distance) P-C4' energy: -18.935
flat angles C4'-P-C4' energy: -21.070
flat angles P-C4'-P energy: -11.124
tors. eta vs tors. theta energy: -27.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -270.458687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.458687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.458687 (E_RNA)
where:
Base-Base interactions energy: -182.408
where: short stacking energy: -78.165
Base-Backbone interact. energy: -0.031
local terms energy: -88.019481
where:
bonds (distance) C4'-P energy: -19.504
bonds (distance) P-C4' energy: -16.810
flat angles C4'-P-C4' energy: -18.243
flat angles P-C4'-P energy: -13.087
tors. eta vs tors. theta energy: -20.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -137.530980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.530980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.530980 (E_RNA)
where:
Base-Base interactions energy: -58.264
where: short stacking energy: -53.715
Base-Backbone interact. energy: -0.478
local terms energy: -78.788911
where:
bonds (distance) C4'-P energy: -16.021
bonds (distance) P-C4' energy: -20.199
flat angles C4'-P-C4' energy: -18.587
flat angles P-C4'-P energy: -10.038
tors. eta vs tors. theta energy: -13.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -134.593630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.593630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.593630 (E_RNA)
where:
Base-Base interactions energy: -55.638
where: short stacking energy: -44.933
Base-Backbone interact. energy: 0.609
local terms energy: -79.564284
where:
bonds (distance) C4'-P energy: -19.094
bonds (distance) P-C4' energy: -21.545
flat angles C4'-P-C4' energy: -20.548
flat angles P-C4'-P energy: -7.390
tors. eta vs tors. theta energy: -10.986
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: 8, replica: 5
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -125.279325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.279325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.279325 (E_RNA)
where:
Base-Base interactions energy: -59.660
where: short stacking energy: -25.167
Base-Backbone interact. energy: -0.648
local terms energy: -64.971329
where:
bonds (distance) C4'-P energy: -20.695
bonds (distance) P-C4' energy: -23.196
flat angles C4'-P-C4' energy: -14.212
flat angles P-C4'-P energy: -10.615
tors. eta vs tors. theta energy: 3.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -97.102923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.102923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.102923 (E_RNA)
where:
Base-Base interactions energy: -31.318
where: short stacking energy: -30.367
Base-Backbone interact. energy: 1.362
local terms energy: -67.146754
where:
bonds (distance) C4'-P energy: -17.868
bonds (distance) P-C4' energy: -22.450
flat angles C4'-P-C4' energy: -22.096
flat angles P-C4'-P energy: -12.908
tors. eta vs tors. theta energy: 8.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -103.557449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.557449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.557449 (E_RNA)
where:
Base-Base interactions energy: -40.419
where: short stacking energy: -40.419
Base-Backbone interact. energy: -0.297
local terms energy: -62.842192
where:
bonds (distance) C4'-P energy: -15.481
bonds (distance) P-C4' energy: -21.986
flat angles C4'-P-C4' energy: -13.716
flat angles P-C4'-P energy: -10.452
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: 475
Temperature: 0.900000
Total energy: -335.761026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.761026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.761026 (E_RNA)
where:
Base-Base interactions energy: -238.731
where: short stacking energy: -98.637
Base-Backbone interact. energy: -0.650
local terms energy: -96.379841
where:
bonds (distance) C4'-P energy: -16.929
bonds (distance) P-C4' energy: -19.260
flat angles C4'-P-C4' energy: -20.017
flat angles P-C4'-P energy: -15.918
tors. eta vs tors. theta energy: -24.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -335.870615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.870615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.870615 (E_RNA)
where:
Base-Base interactions energy: -233.847
where: short stacking energy: -95.903
Base-Backbone interact. energy: -0.352
local terms energy: -101.671652
where:
bonds (distance) C4'-P energy: -19.379
bonds (distance) P-C4' energy: -20.994
flat angles C4'-P-C4' energy: -21.477
flat angles P-C4'-P energy: -10.972
tors. eta vs tors. theta energy: -28.850
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: 3, replica: 3
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -319.732563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.732563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.732563 (E_RNA)
where:
Base-Base interactions energy: -212.473
where: short stacking energy: -99.220
Base-Backbone interact. energy: -0.032
local terms energy: -107.227416
where:
bonds (distance) C4'-P energy: -20.646
bonds (distance) P-C4' energy: -22.427
flat angles C4'-P-C4' energy: -21.352
flat angles P-C4'-P energy: -15.731
tors. eta vs tors. theta energy: -27.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -308.775226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.775226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.775226 (E_RNA)
where:
Base-Base interactions energy: -215.389
where: short stacking energy: -79.312
Base-Backbone interact. energy: -1.047
local terms energy: -92.339834
where:
bonds (distance) C4'-P energy: -19.351
bonds (distance) P-C4' energy: -22.029
flat angles C4'-P-C4' energy: -17.341
flat angles P-C4'-P energy: -12.588
tors. eta vs tors. theta energy: -21.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -264.032405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.032405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.032405 (E_RNA)
where:
Base-Base interactions energy: -177.139
where: short stacking energy: -72.155
Base-Backbone interact. energy: -0.041
local terms energy: -86.851986
where:
bonds (distance) C4'-P energy: -15.115
bonds (distance) P-C4' energy: -23.611
flat angles C4'-P-C4' energy: -17.907
flat angles P-C4'-P energy: -10.016
tors. eta vs tors. theta energy: -20.204
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: 1
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -145.766008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.766008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.766008 (E_RNA)
where:
Base-Base interactions energy: -86.508
where: short stacking energy: -46.017
Base-Backbone interact. energy: -0.589
local terms energy: -58.668578
where:
bonds (distance) C4'-P energy: -12.903
bonds (distance) P-C4' energy: -18.967
flat angles C4'-P-C4' energy: -19.399
flat angles P-C4'-P energy: -3.145
tors. eta vs tors. theta energy: -4.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -151.348814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.348814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.348814 (E_RNA)
where:
Base-Base interactions energy: -76.700
where: short stacking energy: -32.625
Base-Backbone interact. energy: 0.805
local terms energy: -75.453955
where:
bonds (distance) C4'-P energy: -21.847
bonds (distance) P-C4' energy: -22.689
flat angles C4'-P-C4' energy: -13.945
flat angles P-C4'-P energy: -15.021
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: 8, replica: 5
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -156.135315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.135315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.135315 (E_RNA)
where:
Base-Base interactions energy: -83.739
where: short stacking energy: -47.424
Base-Backbone interact. energy: -0.227
local terms energy: -72.169526
where:
bonds (distance) C4'-P energy: -18.028
bonds (distance) P-C4' energy: -15.235
flat angles C4'-P-C4' energy: -19.382
flat angles P-C4'-P energy: -9.004
tors. eta vs tors. theta energy: -10.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -110.067442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.067442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.067442 (E_RNA)
where:
Base-Base interactions energy: -47.384
where: short stacking energy: -38.077
Base-Backbone interact. energy: -0.255
local terms energy: -62.428470
where:
bonds (distance) C4'-P energy: -15.062
bonds (distance) P-C4' energy: -15.600
flat angles C4'-P-C4' energy: -14.437
flat angles P-C4'-P energy: -11.191
tors. eta vs tors. theta energy: -6.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -102.287999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.287999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.287999 (E_RNA)
where:
Base-Base interactions energy: -29.115
where: short stacking energy: -29.415
Base-Backbone interact. energy: -0.290
local terms energy: -72.882535
where:
bonds (distance) C4'-P energy: -20.829
bonds (distance) P-C4' energy: -23.088
flat angles C4'-P-C4' energy: -17.556
flat angles P-C4'-P energy: -8.761
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: 1, replica: 6
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -334.765967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.765967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.765967 (E_RNA)
where:
Base-Base interactions energy: -229.951
where: short stacking energy: -98.027
Base-Backbone interact. energy: -0.108
local terms energy: -104.706752
where:
bonds (distance) C4'-P energy: -21.536
bonds (distance) P-C4' energy: -19.835
flat angles C4'-P-C4' energy: -22.296
flat angles P-C4'-P energy: -16.113
tors. eta vs tors. theta energy: -24.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -333.910977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.910977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.910977 (E_RNA)
where:
Base-Base interactions energy: -225.407
where: short stacking energy: -103.514
Base-Backbone interact. energy: 1.422
local terms energy: -109.925416
where:
bonds (distance) C4'-P energy: -20.990
bonds (distance) P-C4' energy: -19.065
flat angles C4'-P-C4' energy: -24.740
flat angles P-C4'-P energy: -19.155
tors. eta vs tors. theta energy: -25.975
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: 476
Temperature: 1.000000
Total energy: -323.519651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.519651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.519651 (E_RNA)
where:
Base-Base interactions energy: -227.269
where: short stacking energy: -85.448
Base-Backbone interact. energy: 0.122
local terms energy: -96.371955
where:
bonds (distance) C4'-P energy: -22.000
bonds (distance) P-C4' energy: -18.337
flat angles C4'-P-C4' energy: -20.724
flat angles P-C4'-P energy: -15.534
tors. eta vs tors. theta energy: -19.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -303.594049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.594049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.594049 (E_RNA)
where:
Base-Base interactions energy: -207.194
where: short stacking energy: -88.510
Base-Backbone interact. energy: -0.264
local terms energy: -96.136008
where:
bonds (distance) C4'-P energy: -18.248
bonds (distance) P-C4' energy: -17.656
flat angles C4'-P-C4' energy: -21.920
flat angles P-C4'-P energy: -12.293
tors. eta vs tors. theta energy: -26.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -282.116095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.116095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.116095 (E_RNA)
where:
Base-Base interactions energy: -195.541
where: short stacking energy: -82.808
Base-Backbone interact. energy: -1.031
local terms energy: -85.543869
where:
bonds (distance) C4'-P energy: -20.606
bonds (distance) P-C4' energy: -13.741
flat angles C4'-P-C4' energy: -18.224
flat angles P-C4'-P energy: -9.967
tors. eta vs tors. theta energy: -23.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -146.523739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.523739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.523739 (E_RNA)
where:
Base-Base interactions energy: -69.567
where: short stacking energy: -46.526
Base-Backbone interact. energy: -0.176
local terms energy: -76.780422
where:
bonds (distance) C4'-P energy: -15.158
bonds (distance) P-C4' energy: -23.730
flat angles C4'-P-C4' energy: -19.655
flat angles P-C4'-P energy: -10.590
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: 7, replica: 5
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -175.753200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.753200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.753200 (E_RNA)
where:
Base-Base interactions energy: -89.020
where: short stacking energy: -52.017
Base-Backbone interact. energy: -0.138
local terms energy: -86.596009
where:
bonds (distance) C4'-P energy: -16.817
bonds (distance) P-C4' energy: -17.294
flat angles C4'-P-C4' energy: -21.165
flat angles P-C4'-P energy: -16.035
tors. eta vs tors. theta energy: -15.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -160.266342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.266342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.266342 (E_RNA)
where:
Base-Base interactions energy: -83.417
where: short stacking energy: -62.770
Base-Backbone interact. energy: -0.597
local terms energy: -76.252831
where:
bonds (distance) C4'-P energy: -18.847
bonds (distance) P-C4' energy: -18.895
flat angles C4'-P-C4' energy: -20.309
flat angles P-C4'-P energy: -8.791
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: 9, replica: 10
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -111.134464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.134464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.134464 (E_RNA)
where:
Base-Base interactions energy: -34.583
where: short stacking energy: -34.583
Base-Backbone interact. energy: -0.180
local terms energy: -76.371994
where:
bonds (distance) C4'-P energy: -17.868
bonds (distance) P-C4' energy: -22.809
flat angles C4'-P-C4' energy: -20.544
flat angles P-C4'-P energy: -8.403
tors. eta vs tors. theta energy: -6.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -93.833096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.833096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.833096 (E_RNA)
where:
Base-Base interactions energy: -32.979
where: short stacking energy: -31.932
Base-Backbone interact. energy: 2.058
local terms energy: -62.911778
where:
bonds (distance) C4'-P energy: -17.293
bonds (distance) P-C4' energy: -20.858
flat angles C4'-P-C4' energy: -14.477
flat angles P-C4'-P energy: -9.115
tors. eta vs tors. theta energy: -1.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -329.747750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.747750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.747750 (E_RNA)
where:
Base-Base interactions energy: -235.366
where: short stacking energy: -95.551
Base-Backbone interact. energy: 0.595
local terms energy: -94.976695
where:
bonds (distance) C4'-P energy: -17.400
bonds (distance) P-C4' energy: -17.983
flat angles C4'-P-C4' energy: -22.191
flat angles P-C4'-P energy: -15.041
tors. eta vs tors. theta energy: -22.361
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: 2
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -327.187853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.187853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.187853 (E_RNA)
where:
Base-Base interactions energy: -223.185
where: short stacking energy: -98.085
Base-Backbone interact. energy: -0.341
local terms energy: -103.661911
where:
bonds (distance) C4'-P energy: -16.206
bonds (distance) P-C4' energy: -18.609
flat angles C4'-P-C4' energy: -23.475
flat angles P-C4'-P energy: -17.692
tors. eta vs tors. theta energy: -27.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -320.122415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.122415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.122415 (E_RNA)
where:
Base-Base interactions energy: -210.655
where: short stacking energy: -90.923
Base-Backbone interact. energy: -0.218
local terms energy: -109.249363
where:
bonds (distance) C4'-P energy: -17.388
bonds (distance) P-C4' energy: -19.874
flat angles C4'-P-C4' energy: -23.567
flat angles P-C4'-P energy: -17.195
tors. eta vs tors. theta energy: -31.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -310.558735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.558735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.558735 (E_RNA)
where:
Base-Base interactions energy: -209.870
where: short stacking energy: -90.172
Base-Backbone interact. energy: -0.723
local terms energy: -99.966579
where:
bonds (distance) C4'-P energy: -19.434
bonds (distance) P-C4' energy: -18.243
flat angles C4'-P-C4' energy: -21.284
flat angles P-C4'-P energy: -14.046
tors. eta vs tors. theta energy: -26.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -278.196186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.196186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.196186 (E_RNA)
where:
Base-Base interactions energy: -177.643
where: short stacking energy: -75.462
Base-Backbone interact. energy: -1.353
local terms energy: -99.200629
where:
bonds (distance) C4'-P energy: -20.732
bonds (distance) P-C4' energy: -20.724
flat angles C4'-P-C4' energy: -22.040
flat angles P-C4'-P energy: -16.100
tors. eta vs tors. theta energy: -19.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -167.830021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.830021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.830021 (E_RNA)
where:
Base-Base interactions energy: -95.523
where: short stacking energy: -56.129
Base-Backbone interact. energy: -0.246
local terms energy: -72.061196
where:
bonds (distance) C4'-P energy: -14.403
bonds (distance) P-C4' energy: -16.912
flat angles C4'-P-C4' energy: -13.391
flat angles P-C4'-P energy: -17.009
tors. eta vs tors. theta energy: -10.346
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: 1
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -171.458787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.458787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.458787 (E_RNA)
where:
Base-Base interactions energy: -107.225
where: short stacking energy: -48.940
Base-Backbone interact. energy: -0.375
local terms energy: -63.858618
where:
bonds (distance) C4'-P energy: -13.701
bonds (distance) P-C4' energy: -15.823
flat angles C4'-P-C4' energy: -18.747
flat angles P-C4'-P energy: -10.620
tors. eta vs tors. theta energy: -4.968
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: 10
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -108.056356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.056356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.056356 (E_RNA)
where:
Base-Base interactions energy: -49.000
where: short stacking energy: -46.793
Base-Backbone interact. energy: -0.279
local terms energy: -58.777418
where:
bonds (distance) C4'-P energy: -13.351
bonds (distance) P-C4' energy: -16.681
flat angles C4'-P-C4' energy: -13.406
flat angles P-C4'-P energy: -15.486
tors. eta vs tors. theta energy: 0.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -101.051254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.051254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.051254 (E_RNA)
where:
Base-Base interactions energy: -31.726
where: short stacking energy: -31.726
Base-Backbone interact. energy: 1.652
local terms energy: -70.977108
where:
bonds (distance) C4'-P energy: -21.118
bonds (distance) P-C4' energy: -18.103
flat angles C4'-P-C4' energy: -20.273
flat angles P-C4'-P energy: -10.956
tors. eta vs tors. theta energy: -0.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -105.608383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.608383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.608383 (E_RNA)
where:
Base-Base interactions energy: -33.495
where: short stacking energy: -33.495
Base-Backbone interact. energy: -0.376
local terms energy: -71.736765
where:
bonds (distance) C4'-P energy: -20.550
bonds (distance) P-C4' energy: -22.975
flat angles C4'-P-C4' energy: -14.935
flat angles P-C4'-P energy: -13.917
tors. eta vs tors. theta energy: 0.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -326.565228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.565228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.565228 (E_RNA)
where:
Base-Base interactions energy: -219.726
where: short stacking energy: -94.987
Base-Backbone interact. energy: 0.614
local terms energy: -107.453569
where:
bonds (distance) C4'-P energy: -21.534
bonds (distance) P-C4' energy: -21.290
flat angles C4'-P-C4' energy: -23.418
flat angles P-C4'-P energy: -13.795
tors. eta vs tors. theta energy: -27.417
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: 2, replica: 6
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -326.396528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.396528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.396528 (E_RNA)
where:
Base-Base interactions energy: -232.812
where: short stacking energy: -91.952
Base-Backbone interact. energy: 0.308
local terms energy: -93.892277
where:
bonds (distance) C4'-P energy: -21.073
bonds (distance) P-C4' energy: -15.425
flat angles C4'-P-C4' energy: -18.910
flat angles P-C4'-P energy: -14.524
tors. eta vs tors. theta energy: -23.961
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: 3, replica: 7
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -312.695073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.695073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.695073 (E_RNA)
where:
Base-Base interactions energy: -215.338
where: short stacking energy: -88.166
Base-Backbone interact. energy: -0.077
local terms energy: -97.280670
where:
bonds (distance) C4'-P energy: -19.085
bonds (distance) P-C4' energy: -18.976
flat angles C4'-P-C4' energy: -21.746
flat angles P-C4'-P energy: -11.128
tors. eta vs tors. theta energy: -26.345
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: 3
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -311.636817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.636817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.636817 (E_RNA)
where:
Base-Base interactions energy: -219.361
where: short stacking energy: -99.114
Base-Backbone interact. energy: -0.285
local terms energy: -91.991202
where:
bonds (distance) C4'-P energy: -16.299
bonds (distance) P-C4' energy: -12.301
flat angles C4'-P-C4' energy: -23.232
flat angles P-C4'-P energy: -13.594
tors. eta vs tors. theta energy: -26.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -274.700196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.700196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.700196 (E_RNA)
where:
Base-Base interactions energy: -186.927
where: short stacking energy: -73.200
Base-Backbone interact. energy: -0.113
local terms energy: -87.659939
where:
bonds (distance) C4'-P energy: -16.884
bonds (distance) P-C4' energy: -19.344
flat angles C4'-P-C4' energy: -20.667
flat angles P-C4'-P energy: -11.528
tors. eta vs tors. theta energy: -19.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -191.202386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.202386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.202386 (E_RNA)
where:
Base-Base interactions energy: -110.855
where: short stacking energy: -60.794
Base-Backbone interact. energy: 0.962
local terms energy: -81.308792
where:
bonds (distance) C4'-P energy: -16.756
bonds (distance) P-C4' energy: -18.152
flat angles C4'-P-C4' energy: -17.193
flat angles P-C4'-P energy: -15.274
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: 7, replica: 1
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -171.386437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.386437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.386437 (E_RNA)
where:
Base-Base interactions energy: -104.156
where: short stacking energy: -47.009
Base-Backbone interact. energy: -0.022
local terms energy: -67.208637
where:
bonds (distance) C4'-P energy: -15.819
bonds (distance) P-C4' energy: -19.333
flat angles C4'-P-C4' energy: -17.882
flat angles P-C4'-P energy: -12.881
tors. eta vs tors. theta energy: -1.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -107.860958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.860958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.860958 (E_RNA)
where:
Base-Base interactions energy: -30.459
where: short stacking energy: -28.190
Base-Backbone interact. energy: -0.083
local terms energy: -77.319010
where:
bonds (distance) C4'-P energy: -14.515
bonds (distance) P-C4' energy: -22.997
flat angles C4'-P-C4' energy: -21.723
flat angles P-C4'-P energy: -13.301
tors. eta vs tors. theta energy: -4.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -123.529229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.529229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.529229 (E_RNA)
where:
Base-Base interactions energy: -53.540
where: short stacking energy: -35.122
Base-Backbone interact. energy: 1.146
local terms energy: -71.135307
where:
bonds (distance) C4'-P energy: -20.579
bonds (distance) P-C4' energy: -23.110
flat angles C4'-P-C4' energy: -16.097
flat angles P-C4'-P energy: -11.800
tors. eta vs tors. theta energy: 0.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -100.105419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.105419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.105419 (E_RNA)
where:
Base-Base interactions energy: -32.184
where: short stacking energy: -30.086
Base-Backbone interact. energy: -0.260
local terms energy: -67.661937
where:
bonds (distance) C4'-P energy: -14.822
bonds (distance) P-C4' energy: -21.919
flat angles C4'-P-C4' energy: -16.970
flat angles P-C4'-P energy: -12.433
tors. eta vs tors. theta energy: -1.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -329.527291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.527291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.527291 (E_RNA)
where:
Base-Base interactions energy: -224.546
where: short stacking energy: -101.246
Base-Backbone interact. energy: 0.154
local terms energy: -105.135122
where:
bonds (distance) C4'-P energy: -17.710
bonds (distance) P-C4' energy: -20.924
flat angles C4'-P-C4' energy: -22.960
flat angles P-C4'-P energy: -12.284
tors. eta vs tors. theta energy: -31.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -326.592793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.592793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.592793 (E_RNA)
where:
Base-Base interactions energy: -218.334
where: short stacking energy: -91.534
Base-Backbone interact. energy: -0.100
local terms energy: -108.159036
where:
bonds (distance) C4'-P energy: -24.066
bonds (distance) P-C4' energy: -19.763
flat angles C4'-P-C4' energy: -21.689
flat angles P-C4'-P energy: -17.109
tors. eta vs tors. theta energy: -25.533
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: 7
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -321.338702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.338702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.338702 (E_RNA)
where:
Base-Base interactions energy: -218.708
where: short stacking energy: -95.919
Base-Backbone interact. energy: -0.523
local terms energy: -102.107112
where:
bonds (distance) C4'-P energy: -18.434
bonds (distance) P-C4' energy: -17.476
flat angles C4'-P-C4' energy: -21.666
flat angles P-C4'-P energy: -17.626
tors. eta vs tors. theta energy: -26.906
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: 3
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -305.376358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.376358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.376358 (E_RNA)
where:
Base-Base interactions energy: -210.845
where: short stacking energy: -84.665
Base-Backbone interact. energy: -0.174
local terms energy: -94.358025
where:
bonds (distance) C4'-P energy: -16.611
bonds (distance) P-C4' energy: -17.708
flat angles C4'-P-C4' energy: -23.297
flat angles P-C4'-P energy: -14.125
tors. eta vs tors. theta energy: -22.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -291.848420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.848420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.848420 (E_RNA)
where:
Base-Base interactions energy: -202.174
where: short stacking energy: -80.620
Base-Backbone interact. energy: -1.343
local terms energy: -88.331458
where:
bonds (distance) C4'-P energy: -19.108
bonds (distance) P-C4' energy: -17.885
flat angles C4'-P-C4' energy: -19.381
flat angles P-C4'-P energy: -12.065
tors. eta vs tors. theta energy: -19.893
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: 5
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -203.726836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.726836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.726836 (E_RNA)
where:
Base-Base interactions energy: -112.269
where: short stacking energy: -59.066
Base-Backbone interact. energy: -0.264
local terms energy: -91.194267
where:
bonds (distance) C4'-P energy: -18.920
bonds (distance) P-C4' energy: -21.481
flat angles C4'-P-C4' energy: -19.649
flat angles P-C4'-P energy: -15.876
tors. eta vs tors. theta energy: -15.269
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: 7, replica: 1
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -193.171627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.171627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.171627 (E_RNA)
where:
Base-Base interactions energy: -122.780
where: short stacking energy: -48.915
Base-Backbone interact. energy: -1.102
local terms energy: -69.289333
where:
bonds (distance) C4'-P energy: -20.439
bonds (distance) P-C4' energy: -17.971
flat angles C4'-P-C4' energy: -21.892
flat angles P-C4'-P energy: -9.653
tors. eta vs tors. theta energy: 0.666
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: 8, replica: 4
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -112.991819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.991819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.991819 (E_RNA)
where:
Base-Base interactions energy: -49.888
where: short stacking energy: -43.178
Base-Backbone interact. energy: -0.190
local terms energy: -62.914076
where:
bonds (distance) C4'-P energy: -10.094
bonds (distance) P-C4' energy: -17.631
flat angles C4'-P-C4' energy: -19.692
flat angles P-C4'-P energy: -9.242
tors. eta vs tors. theta energy: -6.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -99.605290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.605290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.605290 (E_RNA)
where:
Base-Base interactions energy: -41.594
where: short stacking energy: -36.282
Base-Backbone interact. energy: -0.324
local terms energy: -57.688057
where:
bonds (distance) C4'-P energy: -11.683
bonds (distance) P-C4' energy: -15.665
flat angles C4'-P-C4' energy: -17.249
flat angles P-C4'-P energy: -9.629
tors. eta vs tors. theta energy: -3.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -103.318878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.318878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.318878 (E_RNA)
where:
Base-Base interactions energy: -31.648
where: short stacking energy: -30.502
Base-Backbone interact. energy: 2.637
local terms energy: -74.307545
where:
bonds (distance) C4'-P energy: -20.673
bonds (distance) P-C4' energy: -19.604
flat angles C4'-P-C4' energy: -18.996
flat angles P-C4'-P energy: -12.255
tors. eta vs tors. theta energy: -2.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -326.779709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.779709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.779709 (E_RNA)
where:
Base-Base interactions energy: -226.388
where: short stacking energy: -91.161
Base-Backbone interact. energy: -0.911
local terms energy: -99.480392
where:
bonds (distance) C4'-P energy: -21.768
bonds (distance) P-C4' energy: -19.289
flat angles C4'-P-C4' energy: -19.664
flat angles P-C4'-P energy: -14.968
tors. eta vs tors. theta energy: -23.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -321.500220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.500220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.500220 (E_RNA)
where:
Base-Base interactions energy: -217.958
where: short stacking energy: -93.183
Base-Backbone interact. energy: -1.156
local terms energy: -102.386089
where:
bonds (distance) C4'-P energy: -20.716
bonds (distance) P-C4' energy: -19.898
flat angles C4'-P-C4' energy: -21.222
flat angles P-C4'-P energy: -11.888
tors. eta vs tors. theta energy: -28.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -320.697397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.697397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.697397 (E_RNA)
where:
Base-Base interactions energy: -219.797
where: short stacking energy: -96.299
Base-Backbone interact. energy: 0.112
local terms energy: -101.012773
where:
bonds (distance) C4'-P energy: -20.423
bonds (distance) P-C4' energy: -16.102
flat angles C4'-P-C4' energy: -22.990
flat angles P-C4'-P energy: -12.868
tors. eta vs tors. theta energy: -28.630
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: 480
Temperature: 1.050000
Total energy: -312.122156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.122156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.122156 (E_RNA)
where:
Base-Base interactions energy: -216.658
where: short stacking energy: -88.829
Base-Backbone interact. energy: -0.149
local terms energy: -95.315489
where:
bonds (distance) C4'-P energy: -20.174
bonds (distance) P-C4' energy: -13.319
flat angles C4'-P-C4' energy: -22.174
flat angles P-C4'-P energy: -15.227
tors. eta vs tors. theta energy: -24.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -271.050854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.050854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.050854 (E_RNA)
where:
Base-Base interactions energy: -180.475
where: short stacking energy: -78.530
Base-Backbone interact. energy: -0.166
local terms energy: -90.408996
where:
bonds (distance) C4'-P energy: -17.535
bonds (distance) P-C4' energy: -19.863
flat angles C4'-P-C4' energy: -20.801
flat angles P-C4'-P energy: -8.456
tors. eta vs tors. theta energy: -23.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -205.272157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.272157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.272157 (E_RNA)
where:
Base-Base interactions energy: -127.400
where: short stacking energy: -62.672
Base-Backbone interact. energy: 1.293
local terms energy: -79.165429
where:
bonds (distance) C4'-P energy: -19.511
bonds (distance) P-C4' energy: -16.303
flat angles C4'-P-C4' energy: -20.631
flat angles P-C4'-P energy: -9.746
tors. eta vs tors. theta energy: -12.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -173.079076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.079076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.079076 (E_RNA)
where:
Base-Base interactions energy: -104.868
where: short stacking energy: -57.058
Base-Backbone interact. energy: 1.856
local terms energy: -70.066834
where:
bonds (distance) C4'-P energy: -20.054
bonds (distance) P-C4' energy: -15.738
flat angles C4'-P-C4' energy: -13.737
flat angles P-C4'-P energy: -17.005
tors. eta vs tors. theta energy: -3.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -101.950210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.950210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.950210 (E_RNA)
where:
Base-Base interactions energy: -38.910
where: short stacking energy: -26.901
Base-Backbone interact. energy: -0.436
local terms energy: -62.604053
where:
bonds (distance) C4'-P energy: -18.827
bonds (distance) P-C4' energy: -21.566
flat angles C4'-P-C4' energy: -13.879
flat angles P-C4'-P energy: -10.662
tors. eta vs tors. theta energy: 2.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -113.576937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.576937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.576937 (E_RNA)
where:
Base-Base interactions energy: -61.758
where: short stacking energy: -40.898
Base-Backbone interact. energy: -1.544
local terms energy: -50.275179
where:
bonds (distance) C4'-P energy: -14.681
bonds (distance) P-C4' energy: -12.144
flat angles C4'-P-C4' energy: -15.383
flat angles P-C4'-P energy: -7.194
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: 10, replica: 10
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -95.625026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.625026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.625026 (E_RNA)
where:
Base-Base interactions energy: -26.059
where: short stacking energy: -26.059
Base-Backbone interact. energy: -1.787
local terms energy: -67.778689
where:
bonds (distance) C4'-P energy: -20.497
bonds (distance) P-C4' energy: -21.150
flat angles C4'-P-C4' energy: -14.526
flat angles P-C4'-P energy: -17.411
tors. eta vs tors. theta energy: 5.806
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: 6
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -328.051503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.051503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.051503 (E_RNA)
where:
Base-Base interactions energy: -230.552
where: short stacking energy: -91.787
Base-Backbone interact. energy: -0.164
local terms energy: -97.335171
where:
bonds (distance) C4'-P energy: -21.280
bonds (distance) P-C4' energy: -20.883
flat angles C4'-P-C4' energy: -18.739
flat angles P-C4'-P energy: -15.914
tors. eta vs tors. theta energy: -20.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -325.218716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.218716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.218716 (E_RNA)
where:
Base-Base interactions energy: -224.556
where: short stacking energy: -99.286
Base-Backbone interact. energy: -0.791
local terms energy: -99.872308
where:
bonds (distance) C4'-P energy: -19.841
bonds (distance) P-C4' energy: -17.812
flat angles C4'-P-C4' energy: -21.967
flat angles P-C4'-P energy: -13.727
tors. eta vs tors. theta energy: -26.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -320.004237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.004237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.004237 (E_RNA)
where:
Base-Base interactions energy: -215.378
where: short stacking energy: -93.743
Base-Backbone interact. energy: -0.327
local terms energy: -104.298540
where:
bonds (distance) C4'-P energy: -21.201
bonds (distance) P-C4' energy: -21.510
flat angles C4'-P-C4' energy: -22.569
flat angles P-C4'-P energy: -10.232
tors. eta vs tors. theta energy: -28.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -298.290095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.290095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.290095 (E_RNA)
where:
Base-Base interactions energy: -204.780
where: short stacking energy: -73.598
Base-Backbone interact. energy: -0.763
local terms energy: -92.747082
where:
bonds (distance) C4'-P energy: -22.173
bonds (distance) P-C4' energy: -24.318
flat angles C4'-P-C4' energy: -20.393
flat angles P-C4'-P energy: -6.914
tors. eta vs tors. theta energy: -18.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -303.598932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.598932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.598932 (E_RNA)
where:
Base-Base interactions energy: -206.989
where: short stacking energy: -93.941
Base-Backbone interact. energy: 0.242
local terms energy: -96.852630
where:
bonds (distance) C4'-P energy: -19.149
bonds (distance) P-C4' energy: -17.230
flat angles C4'-P-C4' energy: -20.196
flat angles P-C4'-P energy: -11.576
tors. eta vs tors. theta energy: -28.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -213.042500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.042500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.042500 (E_RNA)
where:
Base-Base interactions energy: -136.358
where: short stacking energy: -55.995
Base-Backbone interact. energy: -1.399
local terms energy: -75.285596
where:
bonds (distance) C4'-P energy: -17.606
bonds (distance) P-C4' energy: -17.227
flat angles C4'-P-C4' energy: -19.391
flat angles P-C4'-P energy: -16.010
tors. eta vs tors. theta energy: -5.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -173.896720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.896720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.896720 (E_RNA)
where:
Base-Base interactions energy: -103.419
where: short stacking energy: -49.953
Base-Backbone interact. energy: -0.288
local terms energy: -70.189851
where:
bonds (distance) C4'-P energy: -20.534
bonds (distance) P-C4' energy: -16.071
flat angles C4'-P-C4' energy: -19.232
flat angles P-C4'-P energy: -4.691
tors. eta vs tors. theta energy: -9.661
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: 9
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -107.997441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.997441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.997441 (E_RNA)
where:
Base-Base interactions energy: -39.145
where: short stacking energy: -34.341
Base-Backbone interact. energy: -0.593
local terms energy: -68.258811
where:
bonds (distance) C4'-P energy: -11.838
bonds (distance) P-C4' energy: -20.144
flat angles C4'-P-C4' energy: -19.715
flat angles P-C4'-P energy: -14.361
tors. eta vs tors. theta energy: -2.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -99.422561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.422561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.422561 (E_RNA)
where:
Base-Base interactions energy: -36.202
where: short stacking energy: -35.364
Base-Backbone interact. energy: -0.036
local terms energy: -63.184888
where:
bonds (distance) C4'-P energy: -19.488
bonds (distance) P-C4' energy: -19.556
flat angles C4'-P-C4' energy: -14.460
flat angles P-C4'-P energy: -1.899
tors. eta vs tors. theta energy: -7.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -102.661013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.661013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.661013 (E_RNA)
where:
Base-Base interactions energy: -28.133
where: short stacking energy: -27.766
Base-Backbone interact. energy: -0.861
local terms energy: -73.666497
where:
bonds (distance) C4'-P energy: -22.115
bonds (distance) P-C4' energy: -17.164
flat angles C4'-P-C4' energy: -19.349
flat angles P-C4'-P energy: -11.207
tors. eta vs tors. theta energy: -3.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -328.780622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.780622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.780622 (E_RNA)
where:
Base-Base interactions energy: -231.671
where: short stacking energy: -93.693
Base-Backbone interact. energy: -0.141
local terms energy: -96.968364
where:
bonds (distance) C4'-P energy: -11.906
bonds (distance) P-C4' energy: -22.152
flat angles C4'-P-C4' energy: -22.307
flat angles P-C4'-P energy: -16.847
tors. eta vs tors. theta energy: -23.756
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: 482
Temperature: 0.950000
Total energy: -326.042203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.042203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.042203 (E_RNA)
where:
Base-Base interactions energy: -224.407
where: short stacking energy: -100.231
Base-Backbone interact. energy: -0.589
local terms energy: -101.045848
where:
bonds (distance) C4'-P energy: -18.910
bonds (distance) P-C4' energy: -20.913
flat angles C4'-P-C4' energy: -22.622
flat angles P-C4'-P energy: -9.419
tors. eta vs tors. theta energy: -29.182
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: 3, replica: 7
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -318.384635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.384635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.384635 (E_RNA)
where:
Base-Base interactions energy: -219.150
where: short stacking energy: -92.389
Base-Backbone interact. energy: -0.609
local terms energy: -98.625009
where:
bonds (distance) C4'-P energy: -17.985
bonds (distance) P-C4' energy: -16.092
flat angles C4'-P-C4' energy: -22.274
flat angles P-C4'-P energy: -14.377
tors. eta vs tors. theta energy: -27.898
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: 8
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -283.660625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.660625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.660625 (E_RNA)
where:
Base-Base interactions energy: -187.450
where: short stacking energy: -65.623
Base-Backbone interact. energy: -0.850
local terms energy: -95.360739
where:
bonds (distance) C4'-P energy: -22.999
bonds (distance) P-C4' energy: -18.885
flat angles C4'-P-C4' energy: -22.599
flat angles P-C4'-P energy: -12.452
tors. eta vs tors. theta energy: -18.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -313.241379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.241379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.241379 (E_RNA)
where:
Base-Base interactions energy: -211.805
where: short stacking energy: -92.540
Base-Backbone interact. energy: -0.100
local terms energy: -101.337197
where:
bonds (distance) C4'-P energy: -21.648
bonds (distance) P-C4' energy: -15.920
flat angles C4'-P-C4' energy: -21.981
flat angles P-C4'-P energy: -13.364
tors. eta vs tors. theta energy: -28.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -205.248410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.248410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.248410 (E_RNA)
where:
Base-Base interactions energy: -119.180
where: short stacking energy: -50.438
Base-Backbone interact. energy: 0.488
local terms energy: -86.555676
where:
bonds (distance) C4'-P energy: -17.295
bonds (distance) P-C4' energy: -20.090
flat angles C4'-P-C4' energy: -23.164
flat angles P-C4'-P energy: -10.514
tors. eta vs tors. theta energy: -15.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -173.499958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.499958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.499958 (E_RNA)
where:
Base-Base interactions energy: -106.250
where: short stacking energy: -51.615
Base-Backbone interact. energy: 0.312
local terms energy: -67.562649
where:
bonds (distance) C4'-P energy: -7.577
bonds (distance) P-C4' energy: -21.416
flat angles C4'-P-C4' energy: -18.370
flat angles P-C4'-P energy: -12.998
tors. eta vs tors. theta energy: -7.201
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: 9
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -116.798759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.798759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.798759 (E_RNA)
where:
Base-Base interactions energy: -45.300
where: short stacking energy: -39.405
Base-Backbone interact. energy: -0.022
local terms energy: -71.476641
where:
bonds (distance) C4'-P energy: -14.573
bonds (distance) P-C4' energy: -20.062
flat angles C4'-P-C4' energy: -22.606
flat angles P-C4'-P energy: -9.194
tors. eta vs tors. theta energy: -5.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -113.815575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.815575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.815575 (E_RNA)
where:
Base-Base interactions energy: -48.208
where: short stacking energy: -45.915
Base-Backbone interact. energy: -0.170
local terms energy: -65.437527
where:
bonds (distance) C4'-P energy: -16.029
bonds (distance) P-C4' energy: -15.425
flat angles C4'-P-C4' energy: -18.745
flat angles P-C4'-P energy: -11.157
tors. eta vs tors. theta energy: -4.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -94.054469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.054469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.054469 (E_RNA)
where:
Base-Base interactions energy: -35.786
where: short stacking energy: -31.890
Base-Backbone interact. energy: -0.853
local terms energy: -57.415385
where:
bonds (distance) C4'-P energy: -12.884
bonds (distance) P-C4' energy: -18.498
flat angles C4'-P-C4' energy: -12.042
flat angles P-C4'-P energy: -9.033
tors. eta vs tors. theta energy: -4.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -331.579416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.579416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.579416 (E_RNA)
where:
Base-Base interactions energy: -233.282
where: short stacking energy: -101.760
Base-Backbone interact. energy: -0.368
local terms energy: -97.929840
where:
bonds (distance) C4'-P energy: -16.377
bonds (distance) P-C4' energy: -19.299
flat angles C4'-P-C4' energy: -21.488
flat angles P-C4'-P energy: -16.334
tors. eta vs tors. theta energy: -24.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -322.725544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.725544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.725544 (E_RNA)
where:
Base-Base interactions energy: -219.871
where: short stacking energy: -88.443
Base-Backbone interact. energy: -0.324
local terms energy: -102.530509
where:
bonds (distance) C4'-P energy: -20.573
bonds (distance) P-C4' energy: -23.719
flat angles C4'-P-C4' energy: -19.179
flat angles P-C4'-P energy: -11.457
tors. eta vs tors. theta energy: -27.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -310.585737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.585737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.585737 (E_RNA)
where:
Base-Base interactions energy: -217.039
where: short stacking energy: -91.584
Base-Backbone interact. energy: -1.180
local terms energy: -92.366912
where:
bonds (distance) C4'-P energy: -15.140
bonds (distance) P-C4' energy: -20.819
flat angles C4'-P-C4' energy: -22.707
flat angles P-C4'-P energy: -10.004
tors. eta vs tors. theta energy: -23.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -320.146975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.146975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.146975 (E_RNA)
where:
Base-Base interactions energy: -217.744
where: short stacking energy: -99.089
Base-Backbone interact. energy: -0.344
local terms energy: -102.058417
where:
bonds (distance) C4'-P energy: -21.635
bonds (distance) P-C4' energy: -18.131
flat angles C4'-P-C4' energy: -19.862
flat angles P-C4'-P energy: -12.300
tors. eta vs tors. theta energy: -30.130
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: 8
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -261.598334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.598334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.598334 (E_RNA)
where:
Base-Base interactions energy: -180.791
where: short stacking energy: -73.899
Base-Backbone interact. energy: -0.341
local terms energy: -80.466520
where:
bonds (distance) C4'-P energy: -18.848
bonds (distance) P-C4' energy: -15.806
flat angles C4'-P-C4' energy: -15.403
flat angles P-C4'-P energy: -7.725
tors. eta vs tors. theta energy: -22.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -188.202589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.202589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.202589 (E_RNA)
where:
Base-Base interactions energy: -99.843
where: short stacking energy: -59.865
Base-Backbone interact. energy: -0.081
local terms energy: -88.278645
where:
bonds (distance) C4'-P energy: -22.145
bonds (distance) P-C4' energy: -19.076
flat angles C4'-P-C4' energy: -17.950
flat angles P-C4'-P energy: -12.290
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: 7, replica: 5
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -206.460764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.460764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.460764 (E_RNA)
where:
Base-Base interactions energy: -135.505
where: short stacking energy: -52.932
Base-Backbone interact. energy: -0.347
local terms energy: -70.609103
where:
bonds (distance) C4'-P energy: -19.885
bonds (distance) P-C4' energy: -18.906
flat angles C4'-P-C4' energy: -14.842
flat angles P-C4'-P energy: -7.264
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: 8, replica: 10
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -124.375525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.375525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.375525 (E_RNA)
where:
Base-Base interactions energy: -53.076
where: short stacking energy: -32.870
Base-Backbone interact. energy: 0.851
local terms energy: -72.150450
where:
bonds (distance) C4'-P energy: -14.459
bonds (distance) P-C4' energy: -22.641
flat angles C4'-P-C4' energy: -19.589
flat angles P-C4'-P energy: -12.138
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: 9, replica: 9
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -115.725093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.725093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.725093 (E_RNA)
where:
Base-Base interactions energy: -46.440
where: short stacking energy: -45.829
Base-Backbone interact. energy: -0.096
local terms energy: -69.189097
where:
bonds (distance) C4'-P energy: -17.407
bonds (distance) P-C4' energy: -20.201
flat angles C4'-P-C4' energy: -12.568
flat angles P-C4'-P energy: -10.687
tors. eta vs tors. theta energy: -8.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -92.387453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.387453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.387453 (E_RNA)
where:
Base-Base interactions energy: -32.222
where: short stacking energy: -24.183
Base-Backbone interact. energy: -0.376
local terms energy: -59.789675
where:
bonds (distance) C4'-P energy: -18.596
bonds (distance) P-C4' energy: -18.559
flat angles C4'-P-C4' energy: -15.245
flat angles P-C4'-P energy: -12.225
tors. eta vs tors. theta energy: 4.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -326.820017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.820017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.820017 (E_RNA)
where:
Base-Base interactions energy: -226.235
where: short stacking energy: -100.928
Base-Backbone interact. energy: -0.136
local terms energy: -100.448724
where:
bonds (distance) C4'-P energy: -18.497
bonds (distance) P-C4' energy: -21.910
flat angles C4'-P-C4' energy: -22.377
flat angles P-C4'-P energy: -12.835
tors. eta vs tors. theta energy: -24.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -325.021424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.021424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.021424 (E_RNA)
where:
Base-Base interactions energy: -224.092
where: short stacking energy: -96.161
Base-Backbone interact. energy: 0.812
local terms energy: -101.741745
where:
bonds (distance) C4'-P energy: -21.737
bonds (distance) P-C4' energy: -19.098
flat angles C4'-P-C4' energy: -23.607
flat angles P-C4'-P energy: -12.431
tors. eta vs tors. theta energy: -24.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -327.264628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.264628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.264628 (E_RNA)
where:
Base-Base interactions energy: -214.101
where: short stacking energy: -92.241
Base-Backbone interact. energy: -0.700
local terms energy: -112.462980
where:
bonds (distance) C4'-P energy: -21.949
bonds (distance) P-C4' energy: -21.808
flat angles C4'-P-C4' energy: -21.385
flat angles P-C4'-P energy: -16.950
tors. eta vs tors. theta energy: -30.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -307.515858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.515858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.515858 (E_RNA)
where:
Base-Base interactions energy: -204.874
where: short stacking energy: -83.621
Base-Backbone interact. energy: -0.209
local terms energy: -102.432997
where:
bonds (distance) C4'-P energy: -18.990
bonds (distance) P-C4' energy: -21.250
flat angles C4'-P-C4' energy: -22.501
flat angles P-C4'-P energy: -13.182
tors. eta vs tors. theta energy: -26.511
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: 5, replica: 8
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -256.847023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.847023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.847023 (E_RNA)
where:
Base-Base interactions energy: -175.320
where: short stacking energy: -65.447
Base-Backbone interact. energy: -0.280
local terms energy: -81.246266
where:
bonds (distance) C4'-P energy: -18.336
bonds (distance) P-C4' energy: -20.390
flat angles C4'-P-C4' energy: -18.217
flat angles P-C4'-P energy: -9.184
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: 6, replica: 1
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -188.235103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.235103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.235103 (E_RNA)
where:
Base-Base interactions energy: -112.326
where: short stacking energy: -53.274
Base-Backbone interact. energy: -0.074
local terms energy: -75.835488
where:
bonds (distance) C4'-P energy: -19.165
bonds (distance) P-C4' energy: -19.463
flat angles C4'-P-C4' energy: -19.226
flat angles P-C4'-P energy: -8.898
tors. eta vs tors. theta energy: -9.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -201.400788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.400788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.400788 (E_RNA)
where:
Base-Base interactions energy: -126.007
where: short stacking energy: -60.936
Base-Backbone interact. energy: -0.316
local terms energy: -75.078547
where:
bonds (distance) C4'-P energy: -14.190
bonds (distance) P-C4' energy: -16.738
flat angles C4'-P-C4' energy: -21.184
flat angles P-C4'-P energy: -11.358
tors. eta vs tors. theta energy: -11.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -112.681786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.681786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.681786 (E_RNA)
where:
Base-Base interactions energy: -44.020
where: short stacking energy: -39.962
Base-Backbone interact. energy: -0.274
local terms energy: -68.387799
where:
bonds (distance) C4'-P energy: -20.386
bonds (distance) P-C4' energy: -12.489
flat angles C4'-P-C4' energy: -19.171
flat angles P-C4'-P energy: -11.474
tors. eta vs tors. theta energy: -4.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -103.927101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.927101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.927101 (E_RNA)
where:
Base-Base interactions energy: -38.570
where: short stacking energy: -38.648
Base-Backbone interact. energy: -1.282
local terms energy: -64.075112
where:
bonds (distance) C4'-P energy: -15.880
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -18.237
flat angles P-C4'-P energy: -10.441
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: 10, replica: 9
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -103.662871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.662871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.662871 (E_RNA)
where:
Base-Base interactions energy: -39.663
where: short stacking energy: -39.663
Base-Backbone interact. energy: -0.067
local terms energy: -63.932585
where:
bonds (distance) C4'-P energy: -20.429
bonds (distance) P-C4' energy: -11.341
flat angles C4'-P-C4' energy: -18.240
flat angles P-C4'-P energy: -6.995
tors. eta vs tors. theta energy: -6.926
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: 2
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -338.738176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.738176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.738176 (E_RNA)
where:
Base-Base interactions energy: -230.651
where: short stacking energy: -103.047
Base-Backbone interact. energy: -0.695
local terms energy: -107.392391
where:
bonds (distance) C4'-P energy: -18.535
bonds (distance) P-C4' energy: -22.567
flat angles C4'-P-C4' energy: -23.496
flat angles P-C4'-P energy: -15.060
tors. eta vs tors. theta energy: -27.734
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: 485
Temperature: 0.950000
Total energy: -327.516300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.516300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.516300 (E_RNA)
where:
Base-Base interactions energy: -222.131
where: short stacking energy: -101.141
Base-Backbone interact. energy: -0.863
local terms energy: -104.523018
where:
bonds (distance) C4'-P energy: -19.045
bonds (distance) P-C4' energy: -21.604
flat angles C4'-P-C4' energy: -20.030
flat angles P-C4'-P energy: -13.192
tors. eta vs tors. theta energy: -30.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -313.273577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.273577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.273577 (E_RNA)
where:
Base-Base interactions energy: -221.825
where: short stacking energy: -88.943
Base-Backbone interact. energy: -0.169
local terms energy: -91.279923
where:
bonds (distance) C4'-P energy: -13.323
bonds (distance) P-C4' energy: -20.907
flat angles C4'-P-C4' energy: -19.883
flat angles P-C4'-P energy: -14.535
tors. eta vs tors. theta energy: -22.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -309.479660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.479660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.479660 (E_RNA)
where:
Base-Base interactions energy: -217.951
where: short stacking energy: -89.597
Base-Backbone interact. energy: 0.082
local terms energy: -91.609903
where:
bonds (distance) C4'-P energy: -17.669
bonds (distance) P-C4' energy: -18.815
flat angles C4'-P-C4' energy: -23.541
flat angles P-C4'-P energy: -11.436
tors. eta vs tors. theta energy: -20.149
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: 8
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -274.371252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.371252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.371252 (E_RNA)
where:
Base-Base interactions energy: -188.683
where: short stacking energy: -68.267
Base-Backbone interact. energy: -0.135
local terms energy: -85.552371
where:
bonds (distance) C4'-P energy: -19.777
bonds (distance) P-C4' energy: -22.315
flat angles C4'-P-C4' energy: -17.640
flat angles P-C4'-P energy: -4.923
tors. eta vs tors. theta energy: -20.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -222.552068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.552068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.552068 (E_RNA)
where:
Base-Base interactions energy: -143.608
where: short stacking energy: -74.672
Base-Backbone interact. energy: -0.806
local terms energy: -78.138093
where:
bonds (distance) C4'-P energy: -11.841
bonds (distance) P-C4' energy: -21.193
flat angles C4'-P-C4' energy: -19.515
flat angles P-C4'-P energy: -13.009
tors. eta vs tors. theta energy: -12.579
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: 1
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -207.215225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.215225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.215225 (E_RNA)
where:
Base-Base interactions energy: -120.643
where: short stacking energy: -60.276
Base-Backbone interact. energy: -0.129
local terms energy: -86.442950
where:
bonds (distance) C4'-P energy: -20.533
bonds (distance) P-C4' energy: -20.498
flat angles C4'-P-C4' energy: -16.849
flat angles P-C4'-P energy: -11.487
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: 8, replica: 4
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -121.822507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.822507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.822507 (E_RNA)
where:
Base-Base interactions energy: -45.157
where: short stacking energy: -44.040
Base-Backbone interact. energy: 3.227
local terms energy: -79.892466
where:
bonds (distance) C4'-P energy: -21.880
bonds (distance) P-C4' energy: -20.183
flat angles C4'-P-C4' energy: -19.239
flat angles P-C4'-P energy: -5.738
tors. eta vs tors. theta energy: -12.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -117.911414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.911414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.911414 (E_RNA)
where:
Base-Base interactions energy: -47.874
where: short stacking energy: -46.626
Base-Backbone interact. energy: -0.682
local terms energy: -69.355058
where:
bonds (distance) C4'-P energy: -15.536
bonds (distance) P-C4' energy: -16.938
flat angles C4'-P-C4' energy: -15.596
flat angles P-C4'-P energy: -10.105
tors. eta vs tors. theta energy: -11.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -96.810207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.810207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.810207 (E_RNA)
where:
Base-Base interactions energy: -30.301
where: short stacking energy: -30.301
Base-Backbone interact. energy: -0.189
local terms energy: -66.320365
where:
bonds (distance) C4'-P energy: -13.740
bonds (distance) P-C4' energy: -16.828
flat angles C4'-P-C4' energy: -17.024
flat angles P-C4'-P energy: -12.861
tors. eta vs tors. theta energy: -5.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -332.406703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.406703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.406703 (E_RNA)
where:
Base-Base interactions energy: -227.830
where: short stacking energy: -105.168
Base-Backbone interact. energy: -0.170
local terms energy: -104.406401
where:
bonds (distance) C4'-P energy: -18.260
bonds (distance) P-C4' energy: -20.151
flat angles C4'-P-C4' energy: -23.324
flat angles P-C4'-P energy: -15.680
tors. eta vs tors. theta energy: -26.991
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: 2
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -326.070306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.070306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.070306 (E_RNA)
where:
Base-Base interactions energy: -217.746
where: short stacking energy: -89.198
Base-Backbone interact. energy: -0.077
local terms energy: -108.246598
where:
bonds (distance) C4'-P energy: -17.815
bonds (distance) P-C4' energy: -23.346
flat angles C4'-P-C4' energy: -20.619
flat angles P-C4'-P energy: -18.806
tors. eta vs tors. theta energy: -27.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -322.855608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.855608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.855608 (E_RNA)
where:
Base-Base interactions energy: -227.708
where: short stacking energy: -97.480
Base-Backbone interact. energy: 0.139
local terms energy: -95.285942
where:
bonds (distance) C4'-P energy: -18.140
bonds (distance) P-C4' energy: -18.641
flat angles C4'-P-C4' energy: -18.644
flat angles P-C4'-P energy: -13.561
tors. eta vs tors. theta energy: -26.300
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: 4, replica: 7
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -308.770424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.770424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.770424 (E_RNA)
where:
Base-Base interactions energy: -213.132
where: short stacking energy: -91.117
Base-Backbone interact. energy: -0.126
local terms energy: -95.512653
where:
bonds (distance) C4'-P energy: -16.250
bonds (distance) P-C4' energy: -18.471
flat angles C4'-P-C4' energy: -21.743
flat angles P-C4'-P energy: -14.939
tors. eta vs tors. theta energy: -24.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -230.536421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.536421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.536421 (E_RNA)
where:
Base-Base interactions energy: -152.624
where: short stacking energy: -77.912
Base-Backbone interact. energy: 2.089
local terms energy: -80.001245
where:
bonds (distance) C4'-P energy: -15.824
bonds (distance) P-C4' energy: -19.089
flat angles C4'-P-C4' energy: -17.290
flat angles P-C4'-P energy: -9.769
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: 6, replica: 8
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -284.356570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.356570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.356570 (E_RNA)
where:
Base-Base interactions energy: -195.609
where: short stacking energy: -67.047
Base-Backbone interact. energy: -0.452
local terms energy: -88.295725
where:
bonds (distance) C4'-P energy: -17.292
bonds (distance) P-C4' energy: -19.705
flat angles C4'-P-C4' energy: -18.751
flat angles P-C4'-P energy: -9.046
tors. eta vs tors. theta energy: -23.502
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: 7, replica: 1
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -216.314514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.314514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.314514 (E_RNA)
where:
Base-Base interactions energy: -132.186
where: short stacking energy: -55.521
Base-Backbone interact. energy: -0.809
local terms energy: -83.319472
where:
bonds (distance) C4'-P energy: -12.361
bonds (distance) P-C4' energy: -19.149
flat angles C4'-P-C4' energy: -20.080
flat angles P-C4'-P energy: -10.452
tors. eta vs tors. theta energy: -21.277
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: 4
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -119.194890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.194890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.194890 (E_RNA)
where:
Base-Base interactions energy: -46.139
where: short stacking energy: -42.492
Base-Backbone interact. energy: -0.656
local terms energy: -72.399842
where:
bonds (distance) C4'-P energy: -20.987
bonds (distance) P-C4' energy: -17.474
flat angles C4'-P-C4' energy: -17.914
flat angles P-C4'-P energy: -9.701
tors. eta vs tors. theta energy: -6.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -103.808093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.808093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.808093 (E_RNA)
where:
Base-Base interactions energy: -36.994
where: short stacking energy: -31.792
Base-Backbone interact. energy: -0.395
local terms energy: -66.419246
where:
bonds (distance) C4'-P energy: -17.334
bonds (distance) P-C4' energy: -22.508
flat angles C4'-P-C4' energy: -13.505
flat angles P-C4'-P energy: -9.658
tors. eta vs tors. theta energy: -3.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -109.296012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.296012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.296012 (E_RNA)
where:
Base-Base interactions energy: -36.483
where: short stacking energy: -33.687
Base-Backbone interact. energy: -0.093
local terms energy: -72.719258
where:
bonds (distance) C4'-P energy: -18.233
bonds (distance) P-C4' energy: -19.463
flat angles C4'-P-C4' energy: -18.178
flat angles P-C4'-P energy: -7.723
tors. eta vs tors. theta energy: -9.123
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: 3
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -329.934798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.934798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.934798 (E_RNA)
where:
Base-Base interactions energy: -225.488
where: short stacking energy: -100.625
Base-Backbone interact. energy: 0.225
local terms energy: -104.671502
where:
bonds (distance) C4'-P energy: -17.462
bonds (distance) P-C4' energy: -20.921
flat angles C4'-P-C4' energy: -20.050
flat angles P-C4'-P energy: -15.830
tors. eta vs tors. theta energy: -30.408
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: 6
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -320.102701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.102701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.102701 (E_RNA)
where:
Base-Base interactions energy: -223.876
where: short stacking energy: -89.169
Base-Backbone interact. energy: -1.032
local terms energy: -95.195178
where:
bonds (distance) C4'-P energy: -20.463
bonds (distance) P-C4' energy: -20.795
flat angles C4'-P-C4' energy: -16.635
flat angles P-C4'-P energy: -10.860
tors. eta vs tors. theta energy: -26.442
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: 2
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -315.753180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.753180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.753180 (E_RNA)
where:
Base-Base interactions energy: -215.079
where: short stacking energy: -93.889
Base-Backbone interact. energy: -0.327
local terms energy: -100.346996
where:
bonds (distance) C4'-P energy: -19.519
bonds (distance) P-C4' energy: -19.058
flat angles C4'-P-C4' energy: -23.188
flat angles P-C4'-P energy: -12.075
tors. eta vs tors. theta energy: -26.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -314.757899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.757899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.757899 (E_RNA)
where:
Base-Base interactions energy: -217.265
where: short stacking energy: -97.659
Base-Backbone interact. energy: -0.104
local terms energy: -97.389590
where:
bonds (distance) C4'-P energy: -16.425
bonds (distance) P-C4' energy: -19.440
flat angles C4'-P-C4' energy: -18.236
flat angles P-C4'-P energy: -14.495
tors. eta vs tors. theta energy: -28.793
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: 5
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -219.519447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.519447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.519447 (E_RNA)
where:
Base-Base interactions energy: -141.470
where: short stacking energy: -67.998
Base-Backbone interact. energy: -0.178
local terms energy: -77.871737
where:
bonds (distance) C4'-P energy: -17.561
bonds (distance) P-C4' energy: -19.932
flat angles C4'-P-C4' energy: -20.616
flat angles P-C4'-P energy: -11.319
tors. eta vs tors. theta energy: -8.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -291.441717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.441717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.441717 (E_RNA)
where:
Base-Base interactions energy: -203.797
where: short stacking energy: -79.416
Base-Backbone interact. energy: 1.301
local terms energy: -88.945397
where:
bonds (distance) C4'-P energy: -21.541
bonds (distance) P-C4' energy: -15.439
flat angles C4'-P-C4' energy: -16.688
flat angles P-C4'-P energy: -11.037
tors. eta vs tors. theta energy: -24.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -207.928479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.928479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.928479 (E_RNA)
where:
Base-Base interactions energy: -126.633
where: short stacking energy: -65.581
Base-Backbone interact. energy: 0.248
local terms energy: -81.544198
where:
bonds (distance) C4'-P energy: -16.797
bonds (distance) P-C4' energy: -19.192
flat angles C4'-P-C4' energy: -11.418
flat angles P-C4'-P energy: -13.432
tors. eta vs tors. theta energy: -20.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -119.256347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.256347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.256347 (E_RNA)
where:
Base-Base interactions energy: -49.540
where: short stacking energy: -33.113
Base-Backbone interact. energy: -0.120
local terms energy: -69.596153
where:
bonds (distance) C4'-P energy: -20.274
bonds (distance) P-C4' energy: -24.627
flat angles C4'-P-C4' energy: -8.165
flat angles P-C4'-P energy: -12.214
tors. eta vs tors. theta energy: -4.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -120.129991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.129991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.129991 (E_RNA)
where:
Base-Base interactions energy: -44.914
where: short stacking energy: -36.588
Base-Backbone interact. energy: -0.242
local terms energy: -74.974159
where:
bonds (distance) C4'-P energy: -21.473
bonds (distance) P-C4' energy: -20.990
flat angles C4'-P-C4' energy: -18.981
flat angles P-C4'-P energy: -8.646
tors. eta vs tors. theta energy: -4.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -91.394371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.394371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.394371 (E_RNA)
where:
Base-Base interactions energy: -24.097
where: short stacking energy: -19.651
Base-Backbone interact. energy: -0.547
local terms energy: -66.751016
where:
bonds (distance) C4'-P energy: -18.969
bonds (distance) P-C4' energy: -19.401
flat angles C4'-P-C4' energy: -19.098
flat angles P-C4'-P energy: -10.371
tors. eta vs tors. theta energy: 1.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -331.250172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.250172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.250172 (E_RNA)
where:
Base-Base interactions energy: -226.048
where: short stacking energy: -95.921
Base-Backbone interact. energy: -0.087
local terms energy: -105.115968
where:
bonds (distance) C4'-P energy: -21.413
bonds (distance) P-C4' energy: -22.056
flat angles C4'-P-C4' energy: -22.509
flat angles P-C4'-P energy: -11.698
tors. eta vs tors. theta energy: -27.441
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: 6
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -325.410503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.410503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.410503 (E_RNA)
where:
Base-Base interactions energy: -230.535
where: short stacking energy: -90.553
Base-Backbone interact. energy: -0.130
local terms energy: -94.745309
where:
bonds (distance) C4'-P energy: -15.447
bonds (distance) P-C4' energy: -19.663
flat angles C4'-P-C4' energy: -21.095
flat angles P-C4'-P energy: -13.088
tors. eta vs tors. theta energy: -25.452
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: 2
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -312.502222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.502222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.502222 (E_RNA)
where:
Base-Base interactions energy: -208.400
where: short stacking energy: -90.312
Base-Backbone interact. energy: -0.156
local terms energy: -103.946164
where:
bonds (distance) C4'-P energy: -19.341
bonds (distance) P-C4' energy: -20.812
flat angles C4'-P-C4' energy: -19.730
flat angles P-C4'-P energy: -16.969
tors. eta vs tors. theta energy: -27.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -306.896019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.896019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.896019 (E_RNA)
where:
Base-Base interactions energy: -209.662
where: short stacking energy: -84.760
Base-Backbone interact. energy: -0.182
local terms energy: -97.052637
where:
bonds (distance) C4'-P energy: -16.189
bonds (distance) P-C4' energy: -20.128
flat angles C4'-P-C4' energy: -21.644
flat angles P-C4'-P energy: -12.660
tors. eta vs tors. theta energy: -26.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -300.139994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.139994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.139994 (E_RNA)
where:
Base-Base interactions energy: -203.278
where: short stacking energy: -82.102
Base-Backbone interact. energy: -0.023
local terms energy: -96.838328
where:
bonds (distance) C4'-P energy: -23.246
bonds (distance) P-C4' energy: -15.965
flat angles C4'-P-C4' energy: -18.983
flat angles P-C4'-P energy: -12.410
tors. eta vs tors. theta energy: -26.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -222.122763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.122763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.122763 (E_RNA)
where:
Base-Base interactions energy: -150.215
where: short stacking energy: -69.834
Base-Backbone interact. energy: -0.164
local terms energy: -71.742925
where:
bonds (distance) C4'-P energy: -10.164
bonds (distance) P-C4' energy: -18.389
flat angles C4'-P-C4' energy: -20.016
flat angles P-C4'-P energy: -5.934
tors. eta vs tors. theta energy: -17.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -175.344005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.344005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.344005 (E_RNA)
where:
Base-Base interactions energy: -105.125
where: short stacking energy: -57.370
Base-Backbone interact. energy: -0.173
local terms energy: -70.045695
where:
bonds (distance) C4'-P energy: -17.060
bonds (distance) P-C4' energy: -18.481
flat angles C4'-P-C4' energy: -15.185
flat angles P-C4'-P energy: -5.366
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: 8, replica: 4
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -112.034770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.034770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.034770 (E_RNA)
where:
Base-Base interactions energy: -40.987
where: short stacking energy: -22.138
Base-Backbone interact. energy: 0.395
local terms energy: -71.442280
where:
bonds (distance) C4'-P energy: -17.127
bonds (distance) P-C4' energy: -20.074
flat angles C4'-P-C4' energy: -20.238
flat angles P-C4'-P energy: -12.864
tors. eta vs tors. theta energy: -1.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -100.785319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.785319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.785319 (E_RNA)
where:
Base-Base interactions energy: -35.469
where: short stacking energy: -35.368
Base-Backbone interact. energy: 3.361
local terms energy: -68.677283
where:
bonds (distance) C4'-P energy: -21.709
bonds (distance) P-C4' energy: -18.664
flat angles C4'-P-C4' energy: -19.618
flat angles P-C4'-P energy: -7.838
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: 10, replica: 10
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -103.303321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.303321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.303321 (E_RNA)
where:
Base-Base interactions energy: -39.551
where: short stacking energy: -38.130
Base-Backbone interact. energy: -0.159
local terms energy: -63.592822
where:
bonds (distance) C4'-P energy: -15.472
bonds (distance) P-C4' energy: -16.062
flat angles C4'-P-C4' energy: -14.757
flat angles P-C4'-P energy: -10.912
tors. eta vs tors. theta energy: -6.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -326.309543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.309543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.309543 (E_RNA)
where:
Base-Base interactions energy: -219.903
where: short stacking energy: -91.594
Base-Backbone interact. energy: -0.668
local terms energy: -105.738909
where:
bonds (distance) C4'-P energy: -21.497
bonds (distance) P-C4' energy: -19.032
flat angles C4'-P-C4' energy: -22.886
flat angles P-C4'-P energy: -11.720
tors. eta vs tors. theta energy: -30.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -328.361094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.361094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.361094 (E_RNA)
where:
Base-Base interactions energy: -222.979
where: short stacking energy: -98.984
Base-Backbone interact. energy: -0.616
local terms energy: -104.765785
where:
bonds (distance) C4'-P energy: -16.809
bonds (distance) P-C4' energy: -19.450
flat angles C4'-P-C4' energy: -21.595
flat angles P-C4'-P energy: -17.546
tors. eta vs tors. theta energy: -29.366
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: 3, replica: 6
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -318.248991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.248991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.248991 (E_RNA)
where:
Base-Base interactions energy: -221.125
where: short stacking energy: -85.005
Base-Backbone interact. energy: -1.031
local terms energy: -96.092351
where:
bonds (distance) C4'-P energy: -17.861
bonds (distance) P-C4' energy: -19.275
flat angles C4'-P-C4' energy: -21.753
flat angles P-C4'-P energy: -15.401
tors. eta vs tors. theta energy: -21.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -302.371271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.371271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.371271 (E_RNA)
where:
Base-Base interactions energy: -205.242
where: short stacking energy: -79.402
Base-Backbone interact. energy: -0.851
local terms energy: -96.278001
where:
bonds (distance) C4'-P energy: -16.265
bonds (distance) P-C4' energy: -19.916
flat angles C4'-P-C4' energy: -21.773
flat angles P-C4'-P energy: -15.916
tors. eta vs tors. theta energy: -22.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -275.136826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.136826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.136826 (E_RNA)
where:
Base-Base interactions energy: -193.805
where: short stacking energy: -83.300
Base-Backbone interact. energy: -0.096
local terms energy: -81.236275
where:
bonds (distance) C4'-P energy: -15.247
bonds (distance) P-C4' energy: -20.596
flat angles C4'-P-C4' energy: -21.418
flat angles P-C4'-P energy: -8.746
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: 6, replica: 1
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -174.413724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.413724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.413724 (E_RNA)
where:
Base-Base interactions energy: -105.703
where: short stacking energy: -54.988
Base-Backbone interact. energy: -0.730
local terms energy: -67.980197
where:
bonds (distance) C4'-P energy: -14.234
bonds (distance) P-C4' energy: -17.140
flat angles C4'-P-C4' energy: -17.610
flat angles P-C4'-P energy: -8.732
tors. eta vs tors. theta energy: -10.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -192.004518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.004518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.004518 (E_RNA)
where:
Base-Base interactions energy: -121.671
where: short stacking energy: -52.471
Base-Backbone interact. energy: -0.236
local terms energy: -70.097212
where:
bonds (distance) C4'-P energy: -18.676
bonds (distance) P-C4' energy: -9.563
flat angles C4'-P-C4' energy: -19.959
flat angles P-C4'-P energy: -12.579
tors. eta vs tors. theta energy: -9.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -118.665473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.665473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.665473 (E_RNA)
where:
Base-Base interactions energy: -59.249
where: short stacking energy: -54.856
Base-Backbone interact. energy: -0.036
local terms energy: -59.379947
where:
bonds (distance) C4'-P energy: -14.142
bonds (distance) P-C4' energy: -13.224
flat angles C4'-P-C4' energy: -16.425
flat angles P-C4'-P energy: -7.879
tors. eta vs tors. theta energy: -7.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -116.290376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.290376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.290376 (E_RNA)
where:
Base-Base interactions energy: -57.613
where: short stacking energy: -35.161
Base-Backbone interact. energy: -1.194
local terms energy: -57.483305
where:
bonds (distance) C4'-P energy: -16.156
bonds (distance) P-C4' energy: -18.211
flat angles C4'-P-C4' energy: -21.106
flat angles P-C4'-P energy: -6.372
tors. eta vs tors. theta energy: 4.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -103.183152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.183152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.183152 (E_RNA)
where:
Base-Base interactions energy: -41.103
where: short stacking energy: -36.434
Base-Backbone interact. energy: 0.351
local terms energy: -62.431438
where:
bonds (distance) C4'-P energy: -18.394
bonds (distance) P-C4' energy: -16.642
flat angles C4'-P-C4' energy: -15.157
flat angles P-C4'-P energy: -11.083
tors. eta vs tors. theta energy: -1.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -331.288986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.288986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.288986 (E_RNA)
where:
Base-Base interactions energy: -228.365
where: short stacking energy: -99.496
Base-Backbone interact. energy: -0.962
local terms energy: -101.962623
where:
bonds (distance) C4'-P energy: -17.950
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -22.286
flat angles P-C4'-P energy: -15.375
tors. eta vs tors. theta energy: -30.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -321.913002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.913002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.913002 (E_RNA)
where:
Base-Base interactions energy: -223.457
where: short stacking energy: -101.437
Base-Backbone interact. energy: -0.110
local terms energy: -98.345538
where:
bonds (distance) C4'-P energy: -19.752
bonds (distance) P-C4' energy: -19.556
flat angles C4'-P-C4' energy: -19.941
flat angles P-C4'-P energy: -10.881
tors. eta vs tors. theta energy: -28.215
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: 7
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -322.878814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.878814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.878814 (E_RNA)
where:
Base-Base interactions energy: -221.021
where: short stacking energy: -91.571
Base-Backbone interact. energy: -0.914
local terms energy: -100.944137
where:
bonds (distance) C4'-P energy: -20.941
bonds (distance) P-C4' energy: -20.340
flat angles C4'-P-C4' energy: -18.582
flat angles P-C4'-P energy: -14.570
tors. eta vs tors. theta energy: -26.512
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: 6
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -315.610468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.610468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.610468 (E_RNA)
where:
Base-Base interactions energy: -224.168
where: short stacking energy: -91.630
Base-Backbone interact. energy: 0.380
local terms energy: -91.822805
where:
bonds (distance) C4'-P energy: -17.227
bonds (distance) P-C4' energy: -19.779
flat angles C4'-P-C4' energy: -19.427
flat angles P-C4'-P energy: -13.011
tors. eta vs tors. theta energy: -22.379
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: 8
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -266.708930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.708930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.708930 (E_RNA)
where:
Base-Base interactions energy: -187.954
where: short stacking energy: -70.307
Base-Backbone interact. energy: -0.398
local terms energy: -78.357649
where:
bonds (distance) C4'-P energy: -18.701
bonds (distance) P-C4' energy: -16.934
flat angles C4'-P-C4' energy: -19.258
flat angles P-C4'-P energy: -7.878
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: 6, replica: 1
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -180.891982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.891982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.891982 (E_RNA)
where:
Base-Base interactions energy: -105.535
where: short stacking energy: -55.426
Base-Backbone interact. energy: 3.829
local terms energy: -79.185919
where:
bonds (distance) C4'-P energy: -16.987
bonds (distance) P-C4' energy: -20.695
flat angles C4'-P-C4' energy: -18.924
flat angles P-C4'-P energy: -14.094
tors. eta vs tors. theta energy: -8.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -162.461452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.461452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.461452 (E_RNA)
where:
Base-Base interactions energy: -93.768
where: short stacking energy: -42.370
Base-Backbone interact. energy: 0.511
local terms energy: -69.204590
where:
bonds (distance) C4'-P energy: -18.704
bonds (distance) P-C4' energy: -18.587
flat angles C4'-P-C4' energy: -19.569
flat angles P-C4'-P energy: -8.300
tors. eta vs tors. theta energy: -4.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -107.008160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.008160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.008160 (E_RNA)
where:
Base-Base interactions energy: -31.326
where: short stacking energy: -25.012
Base-Backbone interact. energy: -0.263
local terms energy: -75.419066
where:
bonds (distance) C4'-P energy: -14.515
bonds (distance) P-C4' energy: -19.016
flat angles C4'-P-C4' energy: -23.051
flat angles P-C4'-P energy: -15.106
tors. eta vs tors. theta energy: -3.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -109.398799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.398799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.398799 (E_RNA)
where:
Base-Base interactions energy: -38.446
where: short stacking energy: -37.205
Base-Backbone interact. energy: -0.395
local terms energy: -70.557593
where:
bonds (distance) C4'-P energy: -18.100
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -13.392
flat angles P-C4'-P energy: -16.977
tors. eta vs tors. theta energy: -7.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -97.439138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.439138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.439138 (E_RNA)
where:
Base-Base interactions energy: -33.027
where: short stacking energy: -20.535
Base-Backbone interact. energy: 1.088
local terms energy: -65.500804
where:
bonds (distance) C4'-P energy: -19.753
bonds (distance) P-C4' energy: -22.455
flat angles C4'-P-C4' energy: -15.821
flat angles P-C4'-P energy: -7.356
tors. eta vs tors. theta energy: -0.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -335.750918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.750918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.750918 (E_RNA)
where:
Base-Base interactions energy: -230.422
where: short stacking energy: -100.620
Base-Backbone interact. energy: -0.228
local terms energy: -105.101321
where:
bonds (distance) C4'-P energy: -19.359
bonds (distance) P-C4' energy: -21.724
flat angles C4'-P-C4' energy: -23.375
flat angles P-C4'-P energy: -10.642
tors. eta vs tors. theta energy: -30.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -329.554221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.554221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.554221 (E_RNA)
where:
Base-Base interactions energy: -226.133
where: short stacking energy: -103.104
Base-Backbone interact. energy: 0.983
local terms energy: -104.404206
where:
bonds (distance) C4'-P energy: -21.074
bonds (distance) P-C4' energy: -19.681
flat angles C4'-P-C4' energy: -21.521
flat angles P-C4'-P energy: -15.554
tors. eta vs tors. theta energy: -26.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -326.956110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.956110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.956110 (E_RNA)
where:
Base-Base interactions energy: -220.876
where: short stacking energy: -98.791
Base-Backbone interact. energy: -0.014
local terms energy: -106.066500
where:
bonds (distance) C4'-P energy: -21.694
bonds (distance) P-C4' energy: -20.350
flat angles C4'-P-C4' energy: -22.539
flat angles P-C4'-P energy: -12.539
tors. eta vs tors. theta energy: -28.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -315.508917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.508917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.508917 (E_RNA)
where:
Base-Base interactions energy: -218.778
where: short stacking energy: -93.387
Base-Backbone interact. energy: 0.268
local terms energy: -96.999174
where:
bonds (distance) C4'-P energy: -18.290
bonds (distance) P-C4' energy: -19.967
flat angles C4'-P-C4' energy: -23.192
flat angles P-C4'-P energy: -11.515
tors. eta vs tors. theta energy: -24.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -280.002805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.002805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.002805 (E_RNA)
where:
Base-Base interactions energy: -195.240
where: short stacking energy: -77.554
Base-Backbone interact. energy: 1.668
local terms energy: -86.431422
where:
bonds (distance) C4'-P energy: -17.297
bonds (distance) P-C4' energy: -18.667
flat angles C4'-P-C4' energy: -18.760
flat angles P-C4'-P energy: -14.789
tors. eta vs tors. theta energy: -16.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -168.170767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.170767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.170767 (E_RNA)
where:
Base-Base interactions energy: -94.965
where: short stacking energy: -44.442
Base-Backbone interact. energy: -0.909
local terms energy: -72.296669
where:
bonds (distance) C4'-P energy: -18.962
bonds (distance) P-C4' energy: -17.027
flat angles C4'-P-C4' energy: -15.804
flat angles P-C4'-P energy: -11.651
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: 7, replica: 1
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -186.323463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.323463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.323463 (E_RNA)
where:
Base-Base interactions energy: -115.010
where: short stacking energy: -62.917
Base-Backbone interact. energy: -0.092
local terms energy: -71.221240
where:
bonds (distance) C4'-P energy: -16.871
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -17.849
flat angles P-C4'-P energy: -11.484
tors. eta vs tors. theta energy: -10.206
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: 10
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -113.462202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.462202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.462202 (E_RNA)
where:
Base-Base interactions energy: -53.005
where: short stacking energy: -34.346
Base-Backbone interact. energy: -0.561
local terms energy: -59.895883
where:
bonds (distance) C4'-P energy: -15.187
bonds (distance) P-C4' energy: -16.792
flat angles C4'-P-C4' energy: -13.869
flat angles P-C4'-P energy: -13.853
tors. eta vs tors. theta energy: -0.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -105.904633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.904633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.904633 (E_RNA)
where:
Base-Base interactions energy: -34.245
where: short stacking energy: -33.644
Base-Backbone interact. energy: -0.391
local terms energy: -71.269251
where:
bonds (distance) C4'-P energy: -16.750
bonds (distance) P-C4' energy: -22.173
flat angles C4'-P-C4' energy: -16.991
flat angles P-C4'-P energy: -11.406
tors. eta vs tors. theta energy: -3.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -109.324529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.324529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.324529 (E_RNA)
where:
Base-Base interactions energy: -42.385
where: short stacking energy: -30.614
Base-Backbone interact. energy: -0.990
local terms energy: -65.949002
where:
bonds (distance) C4'-P energy: -10.616
bonds (distance) P-C4' energy: -21.255
flat angles C4'-P-C4' energy: -14.808
flat angles P-C4'-P energy: -14.686
tors. eta vs tors. theta energy: -4.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -329.795631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.795631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.795631 (E_RNA)
where:
Base-Base interactions energy: -220.883
where: short stacking energy: -95.923
Base-Backbone interact. energy: -0.554
local terms energy: -108.358757
where:
bonds (distance) C4'-P energy: -20.137
bonds (distance) P-C4' energy: -22.503
flat angles C4'-P-C4' energy: -24.706
flat angles P-C4'-P energy: -11.875
tors. eta vs tors. theta energy: -29.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -326.015120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.015120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.015120 (E_RNA)
where:
Base-Base interactions energy: -223.956
where: short stacking energy: -94.224
Base-Backbone interact. energy: 0.852
local terms energy: -102.911974
where:
bonds (distance) C4'-P energy: -17.774
bonds (distance) P-C4' energy: -20.547
flat angles C4'-P-C4' energy: -21.891
flat angles P-C4'-P energy: -15.817
tors. eta vs tors. theta energy: -26.883
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: 6
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -323.022525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.022525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.022525 (E_RNA)
where:
Base-Base interactions energy: -221.360
where: short stacking energy: -86.083
Base-Backbone interact. energy: 1.372
local terms energy: -103.034655
where:
bonds (distance) C4'-P energy: -20.626
bonds (distance) P-C4' energy: -20.979
flat angles C4'-P-C4' energy: -20.647
flat angles P-C4'-P energy: -15.591
tors. eta vs tors. theta energy: -25.192
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: 4, replica: 2
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -308.617910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.617910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.617910 (E_RNA)
where:
Base-Base interactions energy: -209.549
where: short stacking energy: -85.922
Base-Backbone interact. energy: -0.050
local terms energy: -99.019654
where:
bonds (distance) C4'-P energy: -21.225
bonds (distance) P-C4' energy: -18.898
flat angles C4'-P-C4' energy: -23.147
flat angles P-C4'-P energy: -9.688
tors. eta vs tors. theta energy: -26.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -275.701223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.701223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.701223 (E_RNA)
where:
Base-Base interactions energy: -193.865
where: short stacking energy: -81.273
Base-Backbone interact. energy: -0.419
local terms energy: -81.417359
where:
bonds (distance) C4'-P energy: -13.841
bonds (distance) P-C4' energy: -14.787
flat angles C4'-P-C4' energy: -22.039
flat angles P-C4'-P energy: -9.488
tors. eta vs tors. theta energy: -21.262
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: 6, replica: 5
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -166.402150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.402150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.402150 (E_RNA)
where:
Base-Base interactions energy: -97.927
where: short stacking energy: -47.972
Base-Backbone interact. energy: 2.192
local terms energy: -70.666230
where:
bonds (distance) C4'-P energy: -13.751
bonds (distance) P-C4' energy: -20.517
flat angles C4'-P-C4' energy: -15.481
flat angles P-C4'-P energy: -13.285
tors. eta vs tors. theta energy: -7.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -195.990822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.990822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.990822 (E_RNA)
where:
Base-Base interactions energy: -119.645
where: short stacking energy: -58.767
Base-Backbone interact. energy: -0.160
local terms energy: -76.185706
where:
bonds (distance) C4'-P energy: -19.610
bonds (distance) P-C4' energy: -13.952
flat angles C4'-P-C4' energy: -17.521
flat angles P-C4'-P energy: -12.496
tors. eta vs tors. theta energy: -12.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -119.483845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.483845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.483845 (E_RNA)
where:
Base-Base interactions energy: -46.324
where: short stacking energy: -45.538
Base-Backbone interact. energy: -0.068
local terms energy: -73.092560
where:
bonds (distance) C4'-P energy: -17.559
bonds (distance) P-C4' energy: -18.435
flat angles C4'-P-C4' energy: -14.561
flat angles P-C4'-P energy: -10.584
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: 9, replica: 4
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -99.967079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.967079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.967079 (E_RNA)
where:
Base-Base interactions energy: -38.691
where: short stacking energy: -35.132
Base-Backbone interact. energy: -0.153
local terms energy: -61.122745
where:
bonds (distance) C4'-P energy: -11.526
bonds (distance) P-C4' energy: -22.191
flat angles C4'-P-C4' energy: -18.995
flat angles P-C4'-P energy: -9.369
tors. eta vs tors. theta energy: 0.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -94.474293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.474293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.474293 (E_RNA)
where:
Base-Base interactions energy: -28.267
where: short stacking energy: -25.019
Base-Backbone interact. energy: -0.187
local terms energy: -66.020780
where:
bonds (distance) C4'-P energy: -18.995
bonds (distance) P-C4' energy: -21.827
flat angles C4'-P-C4' energy: -19.860
flat angles P-C4'-P energy: -9.059
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: 1, replica: 3
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -338.769023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.769023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.769023 (E_RNA)
where:
Base-Base interactions energy: -230.793
where: short stacking energy: -97.001
Base-Backbone interact. energy: -1.546
local terms energy: -106.429835
where:
bonds (distance) C4'-P energy: -22.770
bonds (distance) P-C4' energy: -21.038
flat angles C4'-P-C4' energy: -24.640
flat angles P-C4'-P energy: -12.822
tors. eta vs tors. theta energy: -25.159
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: 6
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -327.038491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.038491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.038491 (E_RNA)
where:
Base-Base interactions energy: -229.352
where: short stacking energy: -92.784
Base-Backbone interact. energy: 1.584
local terms energy: -99.270237
where:
bonds (distance) C4'-P energy: -20.124
bonds (distance) P-C4' energy: -20.302
flat angles C4'-P-C4' energy: -17.452
flat angles P-C4'-P energy: -14.718
tors. eta vs tors. theta energy: -26.674
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: 3, replica: 7
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -315.700255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.700255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.700255 (E_RNA)
where:
Base-Base interactions energy: -216.401
where: short stacking energy: -100.574
Base-Backbone interact. energy: -0.108
local terms energy: -99.190855
where:
bonds (distance) C4'-P energy: -18.050
bonds (distance) P-C4' energy: -19.599
flat angles C4'-P-C4' energy: -19.520
flat angles P-C4'-P energy: -15.348
tors. eta vs tors. theta energy: -26.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -313.156330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.156330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.156330 (E_RNA)
where:
Base-Base interactions energy: -212.863
where: short stacking energy: -95.532
Base-Backbone interact. energy: 0.266
local terms energy: -100.559405
where:
bonds (distance) C4'-P energy: -21.349
bonds (distance) P-C4' energy: -18.412
flat angles C4'-P-C4' energy: -21.499
flat angles P-C4'-P energy: -14.991
tors. eta vs tors. theta energy: -24.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -284.704476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.704476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.704476 (E_RNA)
where:
Base-Base interactions energy: -202.928
where: short stacking energy: -72.544
Base-Backbone interact. energy: -0.301
local terms energy: -81.475444
where:
bonds (distance) C4'-P energy: -18.224
bonds (distance) P-C4' energy: -20.008
flat angles C4'-P-C4' energy: -18.339
flat angles P-C4'-P energy: -8.748
tors. eta vs tors. theta energy: -16.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -211.134600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.134600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.134600 (E_RNA)
where:
Base-Base interactions energy: -139.881
where: short stacking energy: -57.409
Base-Backbone interact. energy: 0.777
local terms energy: -72.030190
where:
bonds (distance) C4'-P energy: -19.240
bonds (distance) P-C4' energy: -18.809
flat angles C4'-P-C4' energy: -19.576
flat angles P-C4'-P energy: -4.859
tors. eta vs tors. theta energy: -9.546
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: 7, replica: 5
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -172.316318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.316318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.316318 (E_RNA)
where:
Base-Base interactions energy: -92.742
where: short stacking energy: -35.284
Base-Backbone interact. energy: -0.953
local terms energy: -78.621375
where:
bonds (distance) C4'-P energy: -21.992
bonds (distance) P-C4' energy: -21.721
flat angles C4'-P-C4' energy: -18.628
flat angles P-C4'-P energy: -8.941
tors. eta vs tors. theta energy: -7.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -114.051208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.051208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.051208 (E_RNA)
where:
Base-Base interactions energy: -48.761
where: short stacking energy: -46.469
Base-Backbone interact. energy: -0.018
local terms energy: -65.271846
where:
bonds (distance) C4'-P energy: -14.207
bonds (distance) P-C4' energy: -18.002
flat angles C4'-P-C4' energy: -9.970
flat angles P-C4'-P energy: -14.361
tors. eta vs tors. theta energy: -8.731
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: 10
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -127.121682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.121682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.121682 (E_RNA)
where:
Base-Base interactions energy: -56.619
where: short stacking energy: -41.889
Base-Backbone interact. energy: -0.066
local terms energy: -70.435854
where:
bonds (distance) C4'-P energy: -20.426
bonds (distance) P-C4' energy: -18.531
flat angles C4'-P-C4' energy: -15.814
flat angles P-C4'-P energy: -8.367
tors. eta vs tors. theta energy: -7.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -129.317125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.317125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.317125 (E_RNA)
where:
Base-Base interactions energy: -75.809
where: short stacking energy: -41.057
Base-Backbone interact. energy: -0.412
local terms energy: -53.095779
where:
bonds (distance) C4'-P energy: -13.327
bonds (distance) P-C4' energy: -14.317
flat angles C4'-P-C4' energy: -17.780
flat angles P-C4'-P energy: -0.822
tors. eta vs tors. theta energy: -6.851
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: 6
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -328.702865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.702865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.702865 (E_RNA)
where:
Base-Base interactions energy: -229.599
where: short stacking energy: -96.317
Base-Backbone interact. energy: 2.559
local terms energy: -101.662325
where:
bonds (distance) C4'-P energy: -19.035
bonds (distance) P-C4' energy: -20.928
flat angles C4'-P-C4' energy: -20.193
flat angles P-C4'-P energy: -17.141
tors. eta vs tors. theta energy: -24.365
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: 494
Temperature: 0.950000
Total energy: -323.650280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.650280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.650280 (E_RNA)
where:
Base-Base interactions energy: -219.468
where: short stacking energy: -91.112
Base-Backbone interact. energy: -0.211
local terms energy: -103.971178
where:
bonds (distance) C4'-P energy: -19.486
bonds (distance) P-C4' energy: -24.163
flat angles C4'-P-C4' energy: -22.401
flat angles P-C4'-P energy: -12.674
tors. eta vs tors. theta energy: -25.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -317.704362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.704362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.704362 (E_RNA)
where:
Base-Base interactions energy: -215.999
where: short stacking energy: -94.657
Base-Backbone interact. energy: -0.652
local terms energy: -101.054230
where:
bonds (distance) C4'-P energy: -19.521
bonds (distance) P-C4' energy: -16.080
flat angles C4'-P-C4' energy: -22.160
flat angles P-C4'-P energy: -15.634
tors. eta vs tors. theta energy: -27.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -320.694187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.694187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.694187 (E_RNA)
where:
Base-Base interactions energy: -221.530
where: short stacking energy: -87.903
Base-Backbone interact. energy: -0.156
local terms energy: -99.007436
where:
bonds (distance) C4'-P energy: -20.993
bonds (distance) P-C4' energy: -19.246
flat angles C4'-P-C4' energy: -23.422
flat angles P-C4'-P energy: -13.563
tors. eta vs tors. theta energy: -21.784
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: 8
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -276.599519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.599519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.599519 (E_RNA)
where:
Base-Base interactions energy: -192.113
where: short stacking energy: -68.037
Base-Backbone interact. energy: -0.624
local terms energy: -83.862661
where:
bonds (distance) C4'-P energy: -15.435
bonds (distance) P-C4' energy: -17.863
flat angles C4'-P-C4' energy: -20.612
flat angles P-C4'-P energy: -11.557
tors. eta vs tors. theta energy: -18.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -231.416038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.416038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.416038 (E_RNA)
where:
Base-Base interactions energy: -156.600
where: short stacking energy: -70.490
Base-Backbone interact. energy: -0.191
local terms energy: -74.625609
where:
bonds (distance) C4'-P energy: -21.001
bonds (distance) P-C4' energy: -18.499
flat angles C4'-P-C4' energy: -16.554
flat angles P-C4'-P energy: -4.333
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: 7, replica: 5
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -176.897368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.897368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.897368 (E_RNA)
where:
Base-Base interactions energy: -113.816
where: short stacking energy: -52.678
Base-Backbone interact. energy: 0.504
local terms energy: -63.584698
where:
bonds (distance) C4'-P energy: -12.988
bonds (distance) P-C4' energy: -21.558
flat angles C4'-P-C4' energy: -17.354
flat angles P-C4'-P energy: -7.383
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: 4
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -105.961372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.961372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.961372 (E_RNA)
where:
Base-Base interactions energy: -35.091
where: short stacking energy: -22.026
Base-Backbone interact. energy: -0.587
local terms energy: -70.282718
where:
bonds (distance) C4'-P energy: -14.899
bonds (distance) P-C4' energy: -24.042
flat angles C4'-P-C4' energy: -17.419
flat angles P-C4'-P energy: -11.850
tors. eta vs tors. theta energy: -2.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -113.223760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.223760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.223760 (E_RNA)
where:
Base-Base interactions energy: -57.248
where: short stacking energy: -34.840
Base-Backbone interact. energy: -0.250
local terms energy: -55.726002
where:
bonds (distance) C4'-P energy: -21.594
bonds (distance) P-C4' energy: -12.572
flat angles C4'-P-C4' energy: -13.741
flat angles P-C4'-P energy: -6.180
tors. eta vs tors. theta energy: -1.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -110.814291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.814291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.814291 (E_RNA)
where:
Base-Base interactions energy: -48.118
where: short stacking energy: -33.374
Base-Backbone interact. energy: -0.478
local terms energy: -62.218531
where:
bonds (distance) C4'-P energy: -20.042
bonds (distance) P-C4' energy: -20.178
flat angles C4'-P-C4' energy: -12.151
flat angles P-C4'-P energy: -3.840
tors. eta vs tors. theta energy: -6.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -323.758119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.758119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.758119 (E_RNA)
where:
Base-Base interactions energy: -221.874
where: short stacking energy: -88.287
Base-Backbone interact. energy: -0.126
local terms energy: -101.758036
where:
bonds (distance) C4'-P energy: -17.929
bonds (distance) P-C4' energy: -23.405
flat angles C4'-P-C4' energy: -21.691
flat angles P-C4'-P energy: -12.086
tors. eta vs tors. theta energy: -26.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -323.148929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.148929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.148929 (E_RNA)
where:
Base-Base interactions energy: -216.015
where: short stacking energy: -89.600
Base-Backbone interact. energy: -0.509
local terms energy: -106.624835
where:
bonds (distance) C4'-P energy: -21.421
bonds (distance) P-C4' energy: -19.413
flat angles C4'-P-C4' energy: -22.328
flat angles P-C4'-P energy: -16.161
tors. eta vs tors. theta energy: -27.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -320.538700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.538700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.538700 (E_RNA)
where:
Base-Base interactions energy: -219.462
where: short stacking energy: -94.957
Base-Backbone interact. energy: -0.102
local terms energy: -100.974874
where:
bonds (distance) C4'-P energy: -18.601
bonds (distance) P-C4' energy: -20.315
flat angles C4'-P-C4' energy: -22.598
flat angles P-C4'-P energy: -12.822
tors. eta vs tors. theta energy: -26.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -313.521089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.521089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.521089 (E_RNA)
where:
Base-Base interactions energy: -213.263
where: short stacking energy: -96.952
Base-Backbone interact. energy: -0.256
local terms energy: -100.002154
where:
bonds (distance) C4'-P energy: -16.534
bonds (distance) P-C4' energy: -21.643
flat angles C4'-P-C4' energy: -22.750
flat angles P-C4'-P energy: -11.906
tors. eta vs tors. theta energy: -27.169
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: 8
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -275.364617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.364617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.364617 (E_RNA)
where:
Base-Base interactions energy: -187.988
where: short stacking energy: -77.119
Base-Backbone interact. energy: 0.341
local terms energy: -87.717380
where:
bonds (distance) C4'-P energy: -19.698
bonds (distance) P-C4' energy: -21.314
flat angles C4'-P-C4' energy: -17.924
flat angles P-C4'-P energy: -13.707
tors. eta vs tors. theta energy: -15.074
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: 1
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -207.129124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.129124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.129124 (E_RNA)
where:
Base-Base interactions energy: -123.780
where: short stacking energy: -56.031
Base-Backbone interact. energy: -0.519
local terms energy: -82.830430
where:
bonds (distance) C4'-P energy: -22.185
bonds (distance) P-C4' energy: -18.151
flat angles C4'-P-C4' energy: -21.364
flat angles P-C4'-P energy: -11.340
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: 7, replica: 5
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -165.845050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.845050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.845050 (E_RNA)
where:
Base-Base interactions energy: -91.045
where: short stacking energy: -49.799
Base-Backbone interact. energy: -0.217
local terms energy: -74.582628
where:
bonds (distance) C4'-P energy: -20.712
bonds (distance) P-C4' energy: -20.107
flat angles C4'-P-C4' energy: -16.119
flat angles P-C4'-P energy: -10.978
tors. eta vs tors. theta energy: -6.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -116.242226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.242226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.242226 (E_RNA)
where:
Base-Base interactions energy: -36.977
where: short stacking energy: -36.977
Base-Backbone interact. energy: 0.642
local terms energy: -79.906770
where:
bonds (distance) C4'-P energy: -22.952
bonds (distance) P-C4' energy: -23.049
flat angles C4'-P-C4' energy: -14.061
flat angles P-C4'-P energy: -11.473
tors. eta vs tors. theta energy: -8.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -114.285911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.285911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.285911 (E_RNA)
where:
Base-Base interactions energy: -55.172
where: short stacking energy: -33.315
Base-Backbone interact. energy: -0.276
local terms energy: -58.838548
where:
bonds (distance) C4'-P energy: -17.169
bonds (distance) P-C4' energy: -18.174
flat angles C4'-P-C4' energy: -12.200
flat angles P-C4'-P energy: -10.574
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: 10, replica: 10
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -101.299103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.299103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.299103 (E_RNA)
where:
Base-Base interactions energy: -40.876
where: short stacking energy: -40.521
Base-Backbone interact. energy: 0.267
local terms energy: -60.689447
where:
bonds (distance) C4'-P energy: -17.963
bonds (distance) P-C4' energy: -19.922
flat angles C4'-P-C4' energy: -6.102
flat angles P-C4'-P energy: -10.928
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: 3
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -332.982915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.982915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.982915 (E_RNA)
where:
Base-Base interactions energy: -224.588
where: short stacking energy: -101.506
Base-Backbone interact. energy: -1.038
local terms energy: -107.356955
where:
bonds (distance) C4'-P energy: -22.170
bonds (distance) P-C4' energy: -21.254
flat angles C4'-P-C4' energy: -18.570
flat angles P-C4'-P energy: -16.548
tors. eta vs tors. theta energy: -28.816
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: 6
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -322.721012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.721012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.721012 (E_RNA)
where:
Base-Base interactions energy: -218.000
where: short stacking energy: -93.271
Base-Backbone interact. energy: -0.106
local terms energy: -104.615530
where:
bonds (distance) C4'-P energy: -21.669
bonds (distance) P-C4' energy: -22.982
flat angles C4'-P-C4' energy: -19.286
flat angles P-C4'-P energy: -14.557
tors. eta vs tors. theta energy: -26.122
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: 7
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -321.449994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.449994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.449994 (E_RNA)
where:
Base-Base interactions energy: -220.593
where: short stacking energy: -88.885
Base-Backbone interact. energy: -0.080
local terms energy: -100.777460
where:
bonds (distance) C4'-P energy: -20.360
bonds (distance) P-C4' energy: -17.002
flat angles C4'-P-C4' energy: -18.184
flat angles P-C4'-P energy: -14.348
tors. eta vs tors. theta energy: -30.885
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: 2
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -311.076372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.076372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.076372 (E_RNA)
where:
Base-Base interactions energy: -211.972
where: short stacking energy: -94.880
Base-Backbone interact. energy: -0.830
local terms energy: -98.273729
where:
bonds (distance) C4'-P energy: -16.627
bonds (distance) P-C4' energy: -20.527
flat angles C4'-P-C4' energy: -17.892
flat angles P-C4'-P energy: -15.575
tors. eta vs tors. theta energy: -27.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -277.249020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.249020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.249020 (E_RNA)
where:
Base-Base interactions energy: -183.502
where: short stacking energy: -68.338
Base-Backbone interact. energy: -0.941
local terms energy: -92.805878
where:
bonds (distance) C4'-P energy: -16.452
bonds (distance) P-C4' energy: -22.061
flat angles C4'-P-C4' energy: -19.669
flat angles P-C4'-P energy: -15.781
tors. eta vs tors. theta energy: -18.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -202.992774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.992774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.992774 (E_RNA)
where:
Base-Base interactions energy: -132.378
where: short stacking energy: -67.449
Base-Backbone interact. energy: -0.509
local terms energy: -70.105420
where:
bonds (distance) C4'-P energy: -12.305
bonds (distance) P-C4' energy: -19.625
flat angles C4'-P-C4' energy: -18.606
flat angles P-C4'-P energy: -9.182
tors. eta vs tors. theta energy: -10.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -161.247814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.247814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.247814 (E_RNA)
where:
Base-Base interactions energy: -98.424
where: short stacking energy: -44.162
Base-Backbone interact. energy: -0.399
local terms energy: -62.424425
where:
bonds (distance) C4'-P energy: -14.262
bonds (distance) P-C4' energy: -21.306
flat angles C4'-P-C4' energy: -15.420
flat angles P-C4'-P energy: -9.047
tors. eta vs tors. theta energy: -2.390
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: 8, replica: 9
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -121.005252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.005252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.005252 (E_RNA)
where:
Base-Base interactions energy: -52.287
where: short stacking energy: -39.682
Base-Backbone interact. energy: 1.793
local terms energy: -70.511356
where:
bonds (distance) C4'-P energy: -17.706
bonds (distance) P-C4' energy: -17.301
flat angles C4'-P-C4' energy: -20.166
flat angles P-C4'-P energy: -12.130
tors. eta vs tors. theta energy: -3.208
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: 9, replica: 10
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -108.359405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.359405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.359405 (E_RNA)
where:
Base-Base interactions energy: -44.427
where: short stacking energy: -35.193
Base-Backbone interact. energy: -0.005
local terms energy: -63.927436
where:
bonds (distance) C4'-P energy: -14.324
bonds (distance) P-C4' energy: -22.883
flat angles C4'-P-C4' energy: -18.488
flat angles P-C4'-P energy: -12.522
tors. eta vs tors. theta energy: 4.290
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: 496
Temperature: 1.350000
Total energy: -96.269690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.269690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.269690 (E_RNA)
where:
Base-Base interactions energy: -39.478
where: short stacking energy: -26.484
Base-Backbone interact. energy: -0.877
local terms energy: -55.914345
where:
bonds (distance) C4'-P energy: -14.126
bonds (distance) P-C4' energy: -19.102
flat angles C4'-P-C4' energy: -17.382
flat angles P-C4'-P energy: -6.907
tors. eta vs tors. theta energy: 1.603
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: 3
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -329.261592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.261592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.261592 (E_RNA)
where:
Base-Base interactions energy: -220.464
where: short stacking energy: -96.570
Base-Backbone interact. energy: 0.876
local terms energy: -109.673064
where:
bonds (distance) C4'-P energy: -21.229
bonds (distance) P-C4' energy: -23.730
flat angles C4'-P-C4' energy: -22.489
flat angles P-C4'-P energy: -15.151
tors. eta vs tors. theta energy: -27.075
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: 2, replica: 7
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -325.468237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.468237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.468237 (E_RNA)
where:
Base-Base interactions energy: -217.698
where: short stacking energy: -82.753
Base-Backbone interact. energy: -0.109
local terms energy: -107.660850
where:
bonds (distance) C4'-P energy: -21.023
bonds (distance) P-C4' energy: -21.785
flat angles C4'-P-C4' energy: -21.326
flat angles P-C4'-P energy: -18.986
tors. eta vs tors. theta energy: -24.542
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: 6
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -320.091510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.091510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.091510 (E_RNA)
where:
Base-Base interactions energy: -221.209
where: short stacking energy: -95.324
Base-Backbone interact. energy: -0.119
local terms energy: -98.763632
where:
bonds (distance) C4'-P energy: -19.615
bonds (distance) P-C4' energy: -17.983
flat angles C4'-P-C4' energy: -21.664
flat angles P-C4'-P energy: -13.314
tors. eta vs tors. theta energy: -26.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -276.857100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.857100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.857100 (E_RNA)
where:
Base-Base interactions energy: -182.543
where: short stacking energy: -76.134
Base-Backbone interact. energy: -0.098
local terms energy: -94.216083
where:
bonds (distance) C4'-P energy: -20.108
bonds (distance) P-C4' energy: -20.647
flat angles C4'-P-C4' energy: -15.966
flat angles P-C4'-P energy: -14.646
tors. eta vs tors. theta energy: -22.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -283.864858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.864858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.864858 (E_RNA)
where:
Base-Base interactions energy: -186.805
where: short stacking energy: -78.495
Base-Backbone interact. energy: 0.270
local terms energy: -97.330471
where:
bonds (distance) C4'-P energy: -20.758
bonds (distance) P-C4' energy: -19.297
flat angles C4'-P-C4' energy: -23.528
flat angles P-C4'-P energy: -12.693
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: 6, replica: 1
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -225.421524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.421524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.421524 (E_RNA)
where:
Base-Base interactions energy: -143.550
where: short stacking energy: -63.873
Base-Backbone interact. energy: -0.185
local terms energy: -81.685789
where:
bonds (distance) C4'-P energy: -15.571
bonds (distance) P-C4' energy: -18.651
flat angles C4'-P-C4' energy: -15.008
flat angles P-C4'-P energy: -13.688
tors. eta vs tors. theta energy: -18.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -164.797965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.797965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.797965 (E_RNA)
where:
Base-Base interactions energy: -100.873
where: short stacking energy: -41.258
Base-Backbone interact. energy: -0.431
local terms energy: -63.493578
where:
bonds (distance) C4'-P energy: -16.159
bonds (distance) P-C4' energy: -17.200
flat angles C4'-P-C4' energy: -16.051
flat angles P-C4'-P energy: -13.816
tors. eta vs tors. theta energy: -0.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -113.882671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.882671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.882671 (E_RNA)
where:
Base-Base interactions energy: -35.102
where: short stacking energy: -35.102
Base-Backbone interact. energy: -0.041
local terms energy: -78.739988
where:
bonds (distance) C4'-P energy: -18.577
bonds (distance) P-C4' energy: -23.511
flat angles C4'-P-C4' energy: -20.140
flat angles P-C4'-P energy: -9.993
tors. eta vs tors. theta energy: -6.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -117.131273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.131273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.131273 (E_RNA)
where:
Base-Base interactions energy: -58.862
where: short stacking energy: -49.221
Base-Backbone interact. energy: -0.326
local terms energy: -57.943802
where:
bonds (distance) C4'-P energy: -17.206
bonds (distance) P-C4' energy: -16.703
flat angles C4'-P-C4' energy: -16.182
flat angles P-C4'-P energy: -4.448
tors. eta vs tors. theta energy: -3.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -103.478978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.478978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.478978 (E_RNA)
where:
Base-Base interactions energy: -31.502
where: short stacking energy: -32.502
Base-Backbone interact. energy: 0.434
local terms energy: -72.411153
where:
bonds (distance) C4'-P energy: -13.699
bonds (distance) P-C4' energy: -22.553
flat angles C4'-P-C4' energy: -16.188
flat angles P-C4'-P energy: -12.948
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: 3
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -329.557881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.557881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.557881 (E_RNA)
where:
Base-Base interactions energy: -227.851
where: short stacking energy: -98.054
Base-Backbone interact. energy: -0.458
local terms energy: -101.248318
where:
bonds (distance) C4'-P energy: -17.777
bonds (distance) P-C4' energy: -20.058
flat angles C4'-P-C4' energy: -21.195
flat angles P-C4'-P energy: -15.919
tors. eta vs tors. theta energy: -26.300
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: 7
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -325.398348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.398348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.398348 (E_RNA)
where:
Base-Base interactions energy: -232.116
where: short stacking energy: -92.213
Base-Backbone interact. energy: -0.579
local terms energy: -92.702836
where:
bonds (distance) C4'-P energy: -12.454
bonds (distance) P-C4' energy: -16.552
flat angles C4'-P-C4' energy: -21.069
flat angles P-C4'-P energy: -17.790
tors. eta vs tors. theta energy: -24.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -317.858383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.858383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.858383 (E_RNA)
where:
Base-Base interactions energy: -220.153
where: short stacking energy: -90.515
Base-Backbone interact. energy: -0.166
local terms energy: -97.539909
where:
bonds (distance) C4'-P energy: -19.714
bonds (distance) P-C4' energy: -17.320
flat angles C4'-P-C4' energy: -21.230
flat angles P-C4'-P energy: -13.502
tors. eta vs tors. theta energy: -25.775
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: 8
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -284.523689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.523689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.523689 (E_RNA)
where:
Base-Base interactions energy: -183.683
where: short stacking energy: -76.070
Base-Backbone interact. energy: -0.949
local terms energy: -99.892079
where:
bonds (distance) C4'-P energy: -23.974
bonds (distance) P-C4' energy: -21.693
flat angles C4'-P-C4' energy: -18.165
flat angles P-C4'-P energy: -13.442
tors. eta vs tors. theta energy: -22.618
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: 2
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -295.464815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.464815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.464815 (E_RNA)
where:
Base-Base interactions energy: -192.286
where: short stacking energy: -80.182
Base-Backbone interact. energy: -0.547
local terms energy: -102.632140
where:
bonds (distance) C4'-P energy: -20.619
bonds (distance) P-C4' energy: -22.718
flat angles C4'-P-C4' energy: -20.778
flat angles P-C4'-P energy: -15.732
tors. eta vs tors. theta energy: -22.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -218.827333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.827333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.827333 (E_RNA)
where:
Base-Base interactions energy: -136.232
where: short stacking energy: -68.940
Base-Backbone interact. energy: -0.206
local terms energy: -82.389422
where:
bonds (distance) C4'-P energy: -14.771
bonds (distance) P-C4' energy: -20.700
flat angles C4'-P-C4' energy: -16.004
flat angles P-C4'-P energy: -14.391
tors. eta vs tors. theta energy: -16.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -167.945144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.945144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.945144 (E_RNA)
where:
Base-Base interactions energy: -95.715
where: short stacking energy: -45.107
Base-Backbone interact. energy: -0.346
local terms energy: -71.884028
where:
bonds (distance) C4'-P energy: -15.301
bonds (distance) P-C4' energy: -13.639
flat angles C4'-P-C4' energy: -19.094
flat angles P-C4'-P energy: -13.119
tors. eta vs tors. theta energy: -10.732
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: 8, replica: 10
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -117.119673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.119673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.119673 (E_RNA)
where:
Base-Base interactions energy: -43.108
where: short stacking energy: -43.108
Base-Backbone interact. energy: -0.003
local terms energy: -74.008267
where:
bonds (distance) C4'-P energy: -19.279
bonds (distance) P-C4' energy: -21.932
flat angles C4'-P-C4' energy: -17.235
flat angles P-C4'-P energy: -9.471
tors. eta vs tors. theta energy: -6.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -99.677421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.677421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.677421 (E_RNA)
where:
Base-Base interactions energy: -50.057
where: short stacking energy: -28.783
Base-Backbone interact. energy: -0.915
local terms energy: -48.705027
where:
bonds (distance) C4'-P energy: -10.440
bonds (distance) P-C4' energy: -15.655
flat angles C4'-P-C4' energy: -20.481
flat angles P-C4'-P energy: -2.288
tors. eta vs tors. theta energy: 0.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -112.570855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.570855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.570855 (E_RNA)
where:
Base-Base interactions energy: -51.314
where: short stacking energy: -27.535
Base-Backbone interact. energy: -0.175
local terms energy: -61.082128
where:
bonds (distance) C4'-P energy: -19.453
bonds (distance) P-C4' energy: -19.296
flat angles C4'-P-C4' energy: -15.918
flat angles P-C4'-P energy: -7.289
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: 3
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -323.848258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.848258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.848258 (E_RNA)
where:
Base-Base interactions energy: -220.830
where: short stacking energy: -92.604
Base-Backbone interact. energy: -0.400
local terms energy: -102.618831
where:
bonds (distance) C4'-P energy: -19.455
bonds (distance) P-C4' energy: -19.183
flat angles C4'-P-C4' energy: -22.852
flat angles P-C4'-P energy: -15.468
tors. eta vs tors. theta energy: -25.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -320.651548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.651548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.651548 (E_RNA)
where:
Base-Base interactions energy: -210.361
where: short stacking energy: -97.090
Base-Backbone interact. energy: -0.140
local terms energy: -110.149589
where:
bonds (distance) C4'-P energy: -22.141
bonds (distance) P-C4' energy: -24.622
flat angles C4'-P-C4' energy: -21.965
flat angles P-C4'-P energy: -12.564
tors. eta vs tors. theta energy: -28.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -312.201233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.201233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.201233 (E_RNA)
where:
Base-Base interactions energy: -210.971
where: short stacking energy: -88.114
Base-Backbone interact. energy: -0.072
local terms energy: -101.158158
where:
bonds (distance) C4'-P energy: -17.821
bonds (distance) P-C4' energy: -20.762
flat angles C4'-P-C4' energy: -23.481
flat angles P-C4'-P energy: -15.410
tors. eta vs tors. theta energy: -23.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -309.844268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.844268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.844268 (E_RNA)
where:
Base-Base interactions energy: -204.817
where: short stacking energy: -88.802
Base-Backbone interact. energy: -0.098
local terms energy: -104.929392
where:
bonds (distance) C4'-P energy: -22.952
bonds (distance) P-C4' energy: -18.001
flat angles C4'-P-C4' energy: -23.211
flat angles P-C4'-P energy: -14.388
tors. eta vs tors. theta energy: -26.378
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: 8
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -277.692935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.692935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.692935 (E_RNA)
where:
Base-Base interactions energy: -197.773
where: short stacking energy: -74.971
Base-Backbone interact. energy: -0.655
local terms energy: -79.265408
where:
bonds (distance) C4'-P energy: -17.093
bonds (distance) P-C4' energy: -17.036
flat angles C4'-P-C4' energy: -15.647
flat angles P-C4'-P energy: -10.203
tors. eta vs tors. theta energy: -19.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -207.956266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.956266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.956266 (E_RNA)
where:
Base-Base interactions energy: -134.425
where: short stacking energy: -62.246
Base-Backbone interact. energy: -0.849
local terms energy: -72.682266
where:
bonds (distance) C4'-P energy: -10.295
bonds (distance) P-C4' energy: -17.682
flat angles C4'-P-C4' energy: -13.934
flat angles P-C4'-P energy: -13.371
tors. eta vs tors. theta energy: -17.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -134.191667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.191667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.191667 (E_RNA)
where:
Base-Base interactions energy: -53.100
where: short stacking energy: -47.000
Base-Backbone interact. energy: -0.007
local terms energy: -81.084357
where:
bonds (distance) C4'-P energy: -22.484
bonds (distance) P-C4' energy: -18.224
flat angles C4'-P-C4' energy: -18.775
flat angles P-C4'-P energy: -12.972
tors. eta vs tors. theta energy: -8.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -113.790590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.790590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.790590 (E_RNA)
where:
Base-Base interactions energy: -39.735
where: short stacking energy: -32.960
Base-Backbone interact. energy: -0.037
local terms energy: -74.018546
where:
bonds (distance) C4'-P energy: -22.272
bonds (distance) P-C4' energy: -21.197
flat angles C4'-P-C4' energy: -15.730
flat angles P-C4'-P energy: -11.661
tors. eta vs tors. theta energy: -3.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -121.810019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.810019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.810019 (E_RNA)
where:
Base-Base interactions energy: -51.528
where: short stacking energy: -51.528
Base-Backbone interact. energy: 1.070
local terms energy: -71.351571
where:
bonds (distance) C4'-P energy: -19.466
bonds (distance) P-C4' energy: -20.639
flat angles C4'-P-C4' energy: -10.294
flat angles P-C4'-P energy: -13.852
tors. eta vs tors. theta energy: -7.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -102.085326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.085326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.085326 (E_RNA)
where:
Base-Base interactions energy: -37.865
where: short stacking energy: -22.012
Base-Backbone interact. energy: -0.226
local terms energy: -63.994293
where:
bonds (distance) C4'-P energy: -17.134
bonds (distance) P-C4' energy: -17.990
flat angles C4'-P-C4' energy: -18.569
flat angles P-C4'-P energy: -10.711
tors. eta vs tors. theta energy: 0.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -334.113535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.113535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.113535 (E_RNA)
where:
Base-Base interactions energy: -222.526
where: short stacking energy: -97.301
Base-Backbone interact. energy: -0.326
local terms energy: -111.260981
where:
bonds (distance) C4'-P energy: -21.471
bonds (distance) P-C4' energy: -21.679
flat angles C4'-P-C4' energy: -22.801
flat angles P-C4'-P energy: -14.353
tors. eta vs tors. theta energy: -30.958
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: 500
Temperature: 0.950000
Total energy: -312.319472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.319472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.319472 (E_RNA)
where:
Base-Base interactions energy: -209.545
where: short stacking energy: -81.323
Base-Backbone interact. energy: -0.142
local terms energy: -102.632347
where:
bonds (distance) C4'-P energy: -19.157
bonds (distance) P-C4' energy: -23.009
flat angles C4'-P-C4' energy: -20.035
flat angles P-C4'-P energy: -14.127
tors. eta vs tors. theta energy: -26.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -324.359508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.359508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.359508 (E_RNA)
where:
Base-Base interactions energy: -222.685
where: short stacking energy: -96.315
Base-Backbone interact. energy: 0.675
local terms energy: -102.349518
where:
bonds (distance) C4'-P energy: -21.721
bonds (distance) P-C4' energy: -23.849
flat angles C4'-P-C4' energy: -19.722
flat angles P-C4'-P energy: -13.086
tors. eta vs tors. theta energy: -23.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -316.188529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.188529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.188529 (E_RNA)
where:
Base-Base interactions energy: -209.577
where: short stacking energy: -88.569
Base-Backbone interact. energy: -0.239
local terms energy: -106.372139
where:
bonds (distance) C4'-P energy: -17.653
bonds (distance) P-C4' energy: -22.764
flat angles C4'-P-C4' energy: -20.088
flat angles P-C4'-P energy: -16.258
tors. eta vs tors. theta energy: -29.609
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: 8
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -274.915559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.915559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.915559 (E_RNA)
where:
Base-Base interactions energy: -188.756
where: short stacking energy: -74.118
Base-Backbone interact. energy: 0.859
local terms energy: -87.018426
where:
bonds (distance) C4'-P energy: -17.504
bonds (distance) P-C4' energy: -18.347
flat angles C4'-P-C4' energy: -21.381
flat angles P-C4'-P energy: -5.085
tors. eta vs tors. theta energy: -24.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -214.239577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.239577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.239577 (E_RNA)
where:
Base-Base interactions energy: -138.924
where: short stacking energy: -63.242
Base-Backbone interact. energy: -0.146
local terms energy: -75.169684
where:
bonds (distance) C4'-P energy: -12.688
bonds (distance) P-C4' energy: -19.615
flat angles C4'-P-C4' energy: -15.891
flat angles P-C4'-P energy: -14.296
tors. eta vs tors. theta energy: -12.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -134.197969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.197969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.197969 (E_RNA)
where:
Base-Base interactions energy: -63.085
where: short stacking energy: -48.824
Base-Backbone interact. energy: -0.296
local terms energy: -70.816401
where:
bonds (distance) C4'-P energy: -17.673
bonds (distance) P-C4' energy: -22.638
flat angles C4'-P-C4' energy: -17.847
flat angles P-C4'-P energy: -5.399
tors. eta vs tors. theta energy: -7.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -114.935448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.935448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.935448 (E_RNA)
where:
Base-Base interactions energy: -57.139
where: short stacking energy: -31.806
Base-Backbone interact. energy: -0.293
local terms energy: -57.503530
where:
bonds (distance) C4'-P energy: -10.797
bonds (distance) P-C4' energy: -19.135
flat angles C4'-P-C4' energy: -15.249
flat angles P-C4'-P energy: -11.614
tors. eta vs tors. theta energy: -0.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -112.099014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.099014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.099014 (E_RNA)
where:
Base-Base interactions energy: -51.777
where: short stacking energy: -28.423
Base-Backbone interact. energy: -0.148
local terms energy: -60.173664
where:
bonds (distance) C4'-P energy: -20.707
bonds (distance) P-C4' energy: -15.707
flat angles C4'-P-C4' energy: -19.559
flat angles P-C4'-P energy: -7.157
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: 9
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -91.784400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.784400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.784400 (E_RNA)
where:
Base-Base interactions energy: -32.553
where: short stacking energy: -28.537
Base-Backbone interact. energy: -3.121
local terms energy: -56.110902
where:
bonds (distance) C4'-P energy: -16.891
bonds (distance) P-C4' energy: -18.384
flat angles C4'-P-C4' energy: -13.264
flat angles P-C4'-P energy: -8.520
tors. eta vs tors. theta energy: 0.948
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: 1, replica: 7
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -330.258982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.258982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.258982 (E_RNA)
where:
Base-Base interactions energy: -225.872
where: short stacking energy: -103.066
Base-Backbone interact. energy: -0.932
local terms energy: -103.454787
where:
bonds (distance) C4'-P energy: -17.441
bonds (distance) P-C4' energy: -20.885
flat angles C4'-P-C4' energy: -23.967
flat angles P-C4'-P energy: -12.380
tors. eta vs tors. theta energy: -28.783
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: 2, replica: 6
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -326.529601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.529601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.529601 (E_RNA)
where:
Base-Base interactions energy: -228.626
where: short stacking energy: -89.434
Base-Backbone interact. energy: -1.186
local terms energy: -96.717479
where:
bonds (distance) C4'-P energy: -17.359
bonds (distance) P-C4' energy: -20.723
flat angles C4'-P-C4' energy: -20.171
flat angles P-C4'-P energy: -11.965
tors. eta vs tors. theta energy: -26.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -324.915700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.915700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.915700 (E_RNA)
where:
Base-Base interactions energy: -224.845
where: short stacking energy: -95.499
Base-Backbone interact. energy: -0.603
local terms energy: -99.467850
where:
bonds (distance) C4'-P energy: -17.168
bonds (distance) P-C4' energy: -21.968
flat angles C4'-P-C4' energy: -20.767
flat angles P-C4'-P energy: -13.624
tors. eta vs tors. theta energy: -25.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -317.157539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.157539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.157539 (E_RNA)
where:
Base-Base interactions energy: -229.077
where: short stacking energy: -98.096
Base-Backbone interact. energy: -0.113
local terms energy: -87.967102
where:
bonds (distance) C4'-P energy: -10.139
bonds (distance) P-C4' energy: -17.711
flat angles C4'-P-C4' energy: -16.163
flat angles P-C4'-P energy: -16.222
tors. eta vs tors. theta energy: -27.732
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: 8
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -294.485689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.485689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.485689 (E_RNA)
where:
Base-Base interactions energy: -199.323
where: short stacking energy: -81.032
Base-Backbone interact. energy: 0.142
local terms energy: -95.305007
where:
bonds (distance) C4'-P energy: -20.059
bonds (distance) P-C4' energy: -20.009
flat angles C4'-P-C4' energy: -19.574
flat angles P-C4'-P energy: -14.990
tors. eta vs tors. theta energy: -20.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -212.544134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.544134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.544134 (E_RNA)
where:
Base-Base interactions energy: -131.117
where: short stacking energy: -57.295
Base-Backbone interact. energy: -1.940
local terms energy: -79.486737
where:
bonds (distance) C4'-P energy: -15.885
bonds (distance) P-C4' energy: -14.710
flat angles C4'-P-C4' energy: -20.293
flat angles P-C4'-P energy: -14.679
tors. eta vs tors. theta energy: -13.920
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: 4
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -134.749862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.749862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.749862 (E_RNA)
where:
Base-Base interactions energy: -66.382
where: short stacking energy: -43.370
Base-Backbone interact. energy: -0.111
local terms energy: -68.256622
where:
bonds (distance) C4'-P energy: -12.221
bonds (distance) P-C4' energy: -19.110
flat angles C4'-P-C4' energy: -14.139
flat angles P-C4'-P energy: -14.608
tors. eta vs tors. theta energy: -8.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -118.046110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.046110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.046110 (E_RNA)
where:
Base-Base interactions energy: -54.907
where: short stacking energy: -25.304
Base-Backbone interact. energy: -0.483
local terms energy: -62.656592
where:
bonds (distance) C4'-P energy: -14.969
bonds (distance) P-C4' energy: -20.501
flat angles C4'-P-C4' energy: -14.425
flat angles P-C4'-P energy: -12.155
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: 9, replica: 10
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -113.854129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.854129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.854129 (E_RNA)
where:
Base-Base interactions energy: -54.599
where: short stacking energy: -53.758
Base-Backbone interact. energy: -0.152
local terms energy: -59.103000
where:
bonds (distance) C4'-P energy: -16.974
bonds (distance) P-C4' energy: -18.753
flat angles C4'-P-C4' energy: -12.687
flat angles P-C4'-P energy: -6.050
tors. eta vs tors. theta energy: -4.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -96.765781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.765781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.765781 (E_RNA)
where:
Base-Base interactions energy: -37.191
where: short stacking energy: -33.396
Base-Backbone interact. energy: -0.352
local terms energy: -59.222498
where:
bonds (distance) C4'-P energy: -11.547
bonds (distance) P-C4' energy: -18.794
flat angles C4'-P-C4' energy: -17.700
flat angles P-C4'-P energy: -8.848
tors. eta vs tors. theta energy: -2.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
replica 7 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 13950814
moves confirmed later: 15245874
all moves confirmed: 29196688
percent of confirmed moves: 3.649586
current total energy: -317.084114
recalc. total energy: -317.084114
replica 6 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 21985847
moves confirmed later: 25769803
all moves confirmed: 47755650
percent of confirmed moves: 5.969456
current total energy: -268.080390
recalc. total energy: -268.080390
replica 3 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 15929157
moves confirmed later: 17976626
all moves confirmed: 33905783
percent of confirmed moves: 4.238223
current total energy: -265.023179
recalc. total energy: -265.023179
replica 2 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 14626815
moves confirmed later: 16057951
all moves confirmed: 30684766
percent of confirmed moves: 3.835596
current total energy: -263.055272
recalc. total energy: -263.055272
replica 8 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 20473995
moves confirmed later: 23808727
all moves confirmed: 44282722
percent of confirmed moves: 5.535340
current total energy: -260.276696
recalc. total energy: -260.276696
replica 1 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 30712066
moves confirmed later: 37104334
all moves confirmed: 67816400
percent of confirmed moves: 8.477050
current total energy: -165.488011
recalc. total energy: -165.488011
replica 5 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 24516332
moves confirmed later: 29120767
all moves confirmed: 53637099
percent of confirmed moves: 6.704637
current total energy: -67.197788
recalc. total energy: -67.197788
replica 4 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 31597911
moves confirmed later: 38350094
all moves confirmed: 69948005
percent of confirmed moves: 8.743501
current total energy: -68.257090
recalc. total energy: -68.257090
replica 9 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 33975889
moves confirmed later: 41429641
all moves confirmed: 75405530
percent of confirmed moves: 9.425691
current total energy: -63.859858
recalc. total energy: -63.859858
replica 10 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 20464671
moves confirmed later: 23915168
all moves confirmed: 44379839
percent of confirmed moves: 5.547480
current total energy: -33.169044
recalc. total energy: -33.169044
out arg RESULTS//1/MALAT1-29mer-aaca26c0_01
Time of doing 8000000 iterations: 2790.248 seconds